4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one

C184H326N28O15S15 — CID 158365434

IUPAC4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one
SMILESCNC1CSCCN(C23CCC(CC2)C3)C1=O.CNC1CSCCN(C2CC3CCC(C3)C2)C1=O.CNC1CSCCN(C2CC3CCC2C3)C1=O.CNC1CSCCN(C2CC3CCCC2C3)C1=O.CNC1CSCCN(CC2CC2)C1=O.CNC1CSCCN(CC2CC3CCC(C3)C2)C1=O.CNC1CSCCN(CC2CC3CCC2C3)C1=O.CNC1CSCCN(CC2CC3CCCC2C3)C1=O.CNC1CSCCN(CC2CCC2)C1=O.CNC1CSCCN(CC2CCCC2)C1=O.CNC1CSCCN(CC2CCCCC2)C1=O.CNC1CSCCN(CC2CCCCCC2)C1=O.CNC1CSCCN(CC2CCCCCO2)C1=O.CNC1CSCCN(CC2CCCCCS2)C1=O
InChIInChI=1S/2C15H26N2OS.3C14H24N2OS.C14H26N2OS.C13H24N2O2S.C13H24N2OS2.2C13H22N2OS.C13H24N2OS.C12H22N2OS.C11H20N2OS.C10H18N2OS/c1-16-14-10-19-5-4-17(15(14)18)9-13-7-11-2-3-12(6-11)8-13;1-16-14-10-19-6-5-17(15(14)18)9-13-8-11-3-2-4-12(13)7-11;1-15-13-9-18-5-4-16(14(13)17)8-12-7-10-2-3-11(12)6-10;1-15-13-9-18-5-4-16(14(13)17)12-7-10-2-3-11(6-10)8-12;1-15-12-9-18-6-5-16(14(12)17)13-8-10-3-2-4-11(13)7-10;1-15-13-11-18-9-8-16(14(13)17)10-12-6-4-2-3-5-7-12;1-14-12-10-18-8-6-15(13(12)16)9-11-5-3-2-4-7-17-11;1-14-12-10-17-8-6-15(13(12)16)9-11-5-3-2-4-7-18-11;1-14-11-9-17-7-6-15(12(11)16)13-4-2-10(8-13)3-5-13;1-14-11-8-17-5-4-15(13(11)16)12-7-9-2-3-10(12)6-9;1-14-12-10-17-8-7-15(13(12)16)9-11-5-3-2-4-6-11;1-13-11-9-16-7-6-14(12(11)15)8-10-4-2-3-5-10;1-12-10-8-15-6-5-13(11(10)14)7-9-3-2-4-9;1-11-9-7-14-5-4-12(10(9)13)6-8-2-3-8/h2*11-14,16H,2-10H2,1H3;3*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;2*11-12,14H,2-10H2,1H3;10-11,14H,2-9H2,1H3;9-12,14H,2-8H2,1H3;11-12,14H,2-10H2,1H3;10-11,13H,2-9H2,1H3;9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3
InChIKeyGTYXZOONNLKUQZ-UHFFFAOYSA-N
MW3651.82 g/mol
LogP21.45
Rot. Bonds38

About 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one

4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one (PubChem CID 158365434) has the molecular formula C184H326N28O15S15 and a molecular weight of 3651.82 g/mol. Its IUPAC name is 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one.

Molecular Properties

Compound Name4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one
PubChem CID158365434
Molecular FormulaC184H326N28O15S15
Molecular Weight3651.82 g/mol
Exact Mass3648.14
IUPAC Name4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one
SMILESCNC1CSCCN(C23CCC(CC2)C3)C1=O.CNC1CSCCN(C2CC3CCC(C3)C2)C1=O.CNC1CSCCN(C2CC3CCC2C3)C1=O.CNC1CSCCN(C2CC3CCCC2C3)C1=O.CNC1CSCCN(CC2CC2)C1=O.CNC1CSCCN(CC2CC3CCC(C3)C2)C1=O.CNC1CSCCN(CC2CC3CCC2C3)C1=O.CNC1CSCCN(CC2CC3CCCC2C3)C1=O.CNC1CSCCN(CC2CCC2)C1=O.CNC1CSCCN(CC2CCCC2)C1=O.CNC1CSCCN(CC2CCCCC2)C1=O.CNC1CSCCN(CC2CCCCCC2)C1=O.CNC1CSCCN(CC2CCCCCO2)C1=O.CNC1CSCCN(CC2CCCCCS2)C1=O
InChIInChI=1S/2C15H26N2OS.3C14H24N2OS.C14H26N2OS.C13H24N2O2S.C13H24N2OS2.2C13H22N2OS.C13H24N2OS.C12H22N2OS.C11H20N2OS.C10H18N2OS/c1-16-14-10-19-5-4-17(15(14)18)9-13-7-11-2-3-12(6-11)8-13;1-16-14-10-19-6-5-17(15(14)18)9-13-8-11-3-2-4-12(13)7-11;1-15-13-9-18-5-4-16(14(13)17)8-12-7-10-2-3-11(12)6-10;1-15-13-9-18-5-4-16(14(13)17)12-7-10-2-3-11(6-10)8-12;1-15-12-9-18-6-5-16(14(12)17)13-8-10-3-2-4-11(13)7-10;1-15-13-11-18-9-8-16(14(13)17)10-12-6-4-2-3-5-7-12;1-14-12-10-18-8-6-15(13(12)16)9-11-5-3-2-4-7-17-11;1-14-12-10-17-8-6-15(13(12)16)9-11-5-3-2-4-7-18-11;1-14-11-9-17-7-6-15(12(11)16)13-4-2-10(8-13)3-5-13;1-14-11-8-17-5-4-15(13(11)16)12-7-9-2-3-10(12)6-9;1-14-12-10-17-8-7-15(13(12)16)9-11-5-3-2-4-6-11;1-13-11-9-16-7-6-14(12(11)15)8-10-4-2-3-5-10;1-12-10-8-15-6-5-13(11(10)14)7-9-3-2-4-9;1-11-9-7-14-5-4-12(10(9)13)6-8-2-3-8/h2*11-14,16H,2-10H2,1H3;3*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;2*11-12,14H,2-10H2,1H3;10-11,14H,2-9H2,1H3;9-12,14H,2-8H2,1H3;11-12,14H,2-10H2,1H3;10-11,13H,2-9H2,1H3;9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3
InChIKeyGTYXZOONNLKUQZ-UHFFFAOYSA-N
XLogP21.45
TPSA461.99 Ų
H-Bond Donors14
H-Bond Acceptors44
Rotatable Bonds38
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003651.82
LogP ≤ 521.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1044

Analyze 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one?
The IUPAC name of 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one (CID 158365434) is 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one.
What is the SMILES notation for 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one?
The canonical SMILES for 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one is CNC1CSCCN(C23CCC(CC2)C3)C1=O.CNC1CSCCN(C2CC3CCC(C3)C2)C1=O.CNC1CSCCN(C2CC3CCC2C3)C1=O.CNC1CSCCN(C2CC3CCCC2C3)C1=O.CNC1CSCCN(CC2CC2)C1=O.CNC1CSCCN(CC2CC3CCC(C3)C2)C1=O.CNC1CSCCN(CC2CC3CCC2C3)C1=O.CNC1CSCCN(CC2CC3CCCC2C3)C1=O.CNC1CSCCN(CC2CCC2)C1=O.CNC1CSCCN(CC2CCCC2)C1=O.CNC1CSCCN(CC2CCCCC2)C1=O.CNC1CSCCN(CC2CCCCCC2)C1=O.CNC1CSCCN(CC2CCCCCO2)C1=O.CNC1CSCCN(CC2CCCCCS2)C1=O.
What is the InChIKey of 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one?
The InChIKey is GTYXZOONNLKUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H26N2OS.3C14H24N2OS.C14H26N2OS.C13H24N2O2S.C13H24N2OS2.2C13H22N2OS.C13H24N2OS.C12H22N2OS.C11H20N2OS.C10H18N2OS/c1-16-14-10-19-5-4-17(15(14)18)9-13-7-11-2-3-12(6-11)8-13;1-16-14-10-19-6-5-17(15(14)18)9-13-8-11-3-2-4-12(13)7-11;1-15-13-9-18-5-4-16(14(13)17)8-12-7-10-2-3-11(12)6-10;1-15-13-9-18-5-4-16(14(13)17)12-7-10-2-3-11(6-10)8-12;1-15-12-9-18-6-5-16(14(12)17)13-8-10-3-2-4-11(13)7-10;1-15-13-11-18-9-8-16(14(13)17)10-12-6-4-2-3-5-7-12;1-14-12-10-18-8-6-15(13(12)16)9-11-5-3-2-4-7-17-11;1-14-12-10-17-8-6-15(13(12)16)9-11-5-3-2-4-7-18-11;1-14-11-9-17-7-6-15(12(11)16)13-4-2-10(8-13)3-5-13;1-14-11-8-17-5-4-15(13(11)16)12-7-9-2-3-10(12)6-9;1-14-12-10-17-8-7-15(13(12)16)9-11-5-3-2-4-6-11;1-13-11-9-16-7-6-14(12(11)15)8-10-4-2-3-5-10;1-12-10-8-15-6-5-13(11(10)14)7-9-3-2-4-9;1-11-9-7-14-5-4-12(10(9)13)6-8-2-3-8/h2*11-14,16H,2-10H2,1H3;3*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;2*11-12,14H,2-10H2,1H3;10-11,14H,2-9H2,1H3;9-12,14H,2-8H2,1H3;11-12,14H,2-10H2,1H3;10-11,13H,2-9H2,1H3;9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3.
What are the key properties of 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one?
4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one has a molecular weight of 3651.82 g/mol, XLogP of 21.45, 38 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one is sourced from PubChem (CID 158365434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).