2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

C11H16N4O4S2 — CID 72719999

IUPAC2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESCN(CC(=O)Nc1nc2c(s1)C(=O)NCCC2)S(C)(=O)=O
InChIInChI=1S/C11H16N4O4S2/c1-15(21(2,18)19)6-8(16)14-11-13-7-4-3-5-12-10(17)9(7)20-11/h3-6H2,1-2H3,(H,12,17)(H,13,14,16)
InChIKeyHYXXTCWVZPKTBI-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.35
Rot. Bonds4

About 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (PubChem CID 72719999) has the molecular formula C11H16N4O4S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
PubChem CID72719999
Molecular FormulaC11H16N4O4S2
Molecular Weight332.41 g/mol
Exact Mass332.06
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESCN(CC(=O)Nc1nc2c(s1)C(=O)NCCC2)S(C)(=O)=O
InChIInChI=1S/C11H16N4O4S2/c1-15(21(2,18)19)6-8(16)14-11-13-7-4-3-5-12-10(17)9(7)20-11/h3-6H2,1-2H3,(H,12,17)(H,13,14,16)
InChIKeyHYXXTCWVZPKTBI-UHFFFAOYSA-N
XLogP-0.35
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (CID 72719999) is 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is CN(CC(=O)Nc1nc2c(s1)C(=O)NCCC2)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The InChIKey is HYXXTCWVZPKTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S2/c1-15(21(2,18)19)6-8(16)14-11-13-7-4-3-5-12-10(17)9(7)20-11/h3-6H2,1-2H3,(H,12,17)(H,13,14,16).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is sourced from PubChem (CID 72719999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).