8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

C16H24N2O2S — CID 23554676

IUPAC8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(CC2CCCCCS2)CCc2ccoc21
InChIInChI=1S/C16H24N2O2S/c1-17-14-15-12(7-9-20-15)6-8-18(16(14)19)11-13-5-3-2-4-10-21-13/h7,9,13-14,17H,2-6,8,10-11H2,1H3
InChIKeyREVVXPJALUTQDT-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.60
Rot. Bonds3

About 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 23554676) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID23554676
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(CC2CCCCCS2)CCc2ccoc21
InChIInChI=1S/C16H24N2O2S/c1-17-14-15-12(7-9-20-15)6-8-18(16(14)19)11-13-5-3-2-4-10-21-13/h7,9,13-14,17H,2-6,8,10-11H2,1H3
InChIKeyREVVXPJALUTQDT-UHFFFAOYSA-N
XLogP2.60
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one with MolForge

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Related Compounds

6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 91551584
6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 23554886
6-[(1,1-dioxothiolan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 23554710
6-cyclobutyl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 23554841
8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 23554476
8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 23554660
6-[(1,1-dioxothian-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1,1-dioxothian-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylazepan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylpiperidin-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxetan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxiran-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxolan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 158607058
8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 23555071
3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one
CID 80585255
6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 23554738
6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-[(1,1-dioxothian-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 90970748
1-tert-butyl-3-(methylamino)azepan-2-one;6-[(1,1-dioxothiolan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1,1-dioxothiolan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;1-ethyl-3-(methylamino)azepan-2-one;8-(methylamino)-6-(oxan-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxan-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxolan-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;3-(methylamino)-1-propan-2-ylazepan-2-one;8-(methylamino)-6-(thian-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thiolan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 158582865

Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 23554676) is 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(CC2CCCCCS2)CCc2ccoc21.
What is the InChIKey of 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is REVVXPJALUTQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17-14-15-12(7-9-20-15)6-8-18(16(14)19)11-13-5-3-2-4-10-21-13/h7,9,13-14,17H,2-6,8,10-11H2,1H3.
What are the key properties of 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 308.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 23554676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).