6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

C193H282N24O13S13 — CID 160687058

IUPAC6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(C23CCC(CC2)C3)CCc2ccsc21.CNC1C(=O)N(CC2CC2)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCC(C3)C2)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCC2C3)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCCC2C3)CCc2ccsc21.CNC1C(=O)N(CC2CCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCO2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCS2)CCc2ccsc21
InChIInChI=1S/2C18H26N2OS.C17H24N2OS.2C17H26N2OS.C16H24N2O2S.C16H24N2OS2.C16H22N2OS.C16H24N2OS.C15H22N2OS.C14H20N2OS.C13H18N2OS/c1-19-16-17-15(5-7-22-17)4-6-20(18(16)21)11-14-9-12-2-3-13(8-12)10-14;1-19-16-17-13(6-8-22-17)5-7-20(18(16)21)11-15-10-12-3-2-4-14(15)9-12;1-18-15-16-12(5-7-21-16)4-6-19(17(15)20)10-14-9-11-2-3-13(14)8-11;2*1-18-15-16-14(9-11-21-16)8-10-19(17(15)20)12-13-6-4-2-3-5-7-13;2*1-17-14-15-12(7-10-21-15)6-8-18(16(14)19)11-13-5-3-2-4-9-20-13;1-17-13-14-12(5-9-20-14)4-8-18(15(13)19)16-6-2-11(10-16)3-7-16;1-17-14-15-13(8-10-20-15)7-9-18(16(14)19)11-12-5-3-2-4-6-12;1-16-13-14-12(7-9-19-14)6-8-17(15(13)18)10-11-4-2-3-5-11;1-15-12-13-11(6-8-18-13)5-7-16(14(12)17)9-10-3-2-4-10;1-14-11-12-10(5-7-17-12)4-6-15(13(11)16)8-9-2-3-9/h5,7,12-14,16,19H,2-4,6,8-11H2,1H3;6,8,12,14-16,19H,2-5,7,9-11H2,1H3;5,7,11,13-15,18H,2-4,6,8-10H2,1H3;2*9,11,13,15,18H,2-8,10,12H2,1H3;2*7,10,13-14,17H,2-6,8-9,11H2,1H3;5,9,11,13,17H,2-4,6-8,10H2,1H3;8,10,12,14,17H,2-7,9,11H2,1H3;7,9,11,13,16H,2-6,8,10H2,1H3;6,8,10,12,15H,2-5,7,9H2,1H3;5,7,9,11,14H,2-4,6,8H2,1H3
InChIKeyROXCRDCIYXFUQG-UHFFFAOYSA-N
MW3563.40 g/mol
LogP33.70
Rot. Bonds35

About 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (PubChem CID 160687058) has the molecular formula C193H282N24O13S13 and a molecular weight of 3563.40 g/mol. Its IUPAC name is 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one.

Molecular Properties

Compound Name6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
PubChem CID160687058
Molecular FormulaC193H282N24O13S13
Molecular Weight3563.40 g/mol
Exact Mass3559.85
IUPAC Name6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(C23CCC(CC2)C3)CCc2ccsc21.CNC1C(=O)N(CC2CC2)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCC(C3)C2)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCC2C3)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCCC2C3)CCc2ccsc21.CNC1C(=O)N(CC2CCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCO2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCS2)CCc2ccsc21
InChIInChI=1S/2C18H26N2OS.C17H24N2OS.2C17H26N2OS.C16H24N2O2S.C16H24N2OS2.C16H22N2OS.C16H24N2OS.C15H22N2OS.C14H20N2OS.C13H18N2OS/c1-19-16-17-15(5-7-22-17)4-6-20(18(16)21)11-14-9-12-2-3-13(8-12)10-14;1-19-16-17-13(6-8-22-17)5-7-20(18(16)21)11-15-10-12-3-2-4-14(15)9-12;1-18-15-16-12(5-7-21-16)4-6-19(17(15)20)10-14-9-11-2-3-13(14)8-11;2*1-18-15-16-14(9-11-21-16)8-10-19(17(15)20)12-13-6-4-2-3-5-7-13;2*1-17-14-15-12(7-10-21-15)6-8-18(16(14)19)11-13-5-3-2-4-9-20-13;1-17-13-14-12(5-9-20-14)4-8-18(15(13)19)16-6-2-11(10-16)3-7-16;1-17-14-15-13(8-10-20-15)7-9-18(16(14)19)11-12-5-3-2-4-6-12;1-16-13-14-12(7-9-19-14)6-8-17(15(13)18)10-11-4-2-3-5-11;1-15-12-13-11(6-8-18-13)5-7-16(14(12)17)9-10-3-2-4-10;1-14-11-12-10(5-7-17-12)4-6-15(13(11)16)8-9-2-3-9/h5,7,12-14,16,19H,2-4,6,8-11H2,1H3;6,8,12,14-16,19H,2-5,7,9-11H2,1H3;5,7,11,13-15,18H,2-4,6,8-10H2,1H3;2*9,11,13,15,18H,2-8,10,12H2,1H3;2*7,10,13-14,17H,2-6,8-9,11H2,1H3;5,9,11,13,17H,2-4,6-8,10H2,1H3;8,10,12,14,17H,2-7,9,11H2,1H3;7,9,11,13,16H,2-6,8,10H2,1H3;6,8,10,12,15H,2-5,7,9H2,1H3;5,7,9,11,14H,2-4,6,8H2,1H3
InChIKeyROXCRDCIYXFUQG-UHFFFAOYSA-N
XLogP33.70
TPSA397.31 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003563.40
LogP ≤ 533.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The IUPAC name of 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one (CID 160687058) is 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one.
What is the SMILES notation for 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The canonical SMILES for 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is CNC1C(=O)N(C23CCC(CC2)C3)CCc2ccsc21.CNC1C(=O)N(CC2CC2)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCC(C3)C2)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCC2C3)CCc2ccsc21.CNC1C(=O)N(CC2CC3CCCC2C3)CCc2ccsc21.CNC1C(=O)N(CC2CCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCC2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCO2)CCc2ccsc21.CNC1C(=O)N(CC2CCCCCS2)CCc2ccsc21.
What is the InChIKey of 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
The InChIKey is ROXCRDCIYXFUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26N2OS.C17H24N2OS.2C17H26N2OS.C16H24N2O2S.C16H24N2OS2.C16H22N2OS.C16H24N2OS.C15H22N2OS.C14H20N2OS.C13H18N2OS/c1-19-16-17-15(5-7-22-17)4-6-20(18(16)21)11-14-9-12-2-3-13(8-12)10-14;1-19-16-17-13(6-8-22-17)5-7-20(18(16)21)11-15-10-12-3-2-4-14(15)9-12;1-18-15-16-12(5-7-21-16)4-6-19(17(15)20)10-14-9-11-2-3-13(14)8-11;2*1-18-15-16-14(9-11-21-16)8-10-19(17(15)20)12-13-6-4-2-3-5-7-13;2*1-17-14-15-12(7-10-21-15)6-8-18(16(14)19)11-13-5-3-2-4-9-20-13;1-17-13-14-12(5-9-20-14)4-8-18(15(13)19)16-6-2-11(10-16)3-7-16;1-17-14-15-13(8-10-20-15)7-9-18(16(14)19)11-12-5-3-2-4-6-12;1-16-13-14-12(7-9-19-14)6-8-17(15(13)18)10-11-4-2-3-5-11;1-15-12-13-11(6-8-18-13)5-7-16(14(12)17)9-10-3-2-4-10;1-14-11-12-10(5-7-17-12)4-6-15(13(11)16)8-9-2-3-9/h5,7,12-14,16,19H,2-4,6,8-11H2,1H3;6,8,12,14-16,19H,2-5,7,9-11H2,1H3;5,7,11,13-15,18H,2-4,6,8-10H2,1H3;2*9,11,13,15,18H,2-8,10,12H2,1H3;2*7,10,13-14,17H,2-6,8-9,11H2,1H3;5,9,11,13,17H,2-4,6-8,10H2,1H3;8,10,12,14,17H,2-7,9,11H2,1H3;7,9,11,13,16H,2-6,8,10H2,1H3;6,8,10,12,15H,2-5,7,9H2,1H3;5,7,9,11,14H,2-4,6,8H2,1H3.
What are the key properties of 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one?
6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one has a molecular weight of 3563.40 g/mol, XLogP of 33.70, 35 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one is sourced from PubChem (CID 160687058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).