2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide

C11H20N2O3S — CID 60694173

IUPAC2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNC1C=CS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-8(2)9(3)13-11(14)6-12-10-4-5-17(15,16)7-10/h4-5,8-10,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyJYKLJWSSPXPJSY-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.05
Rot. Bonds5

About 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60694173) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID60694173
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNC1C=CS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-8(2)9(3)13-11(14)6-12-10-4-5-17(15,16)7-10/h4-5,8-10,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyJYKLJWSSPXPJSY-UHFFFAOYSA-N
XLogP0.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide
CID 60694028
N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60694060
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 60693984
N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 79167277
1-(azepan-1-yl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]ethanone
CID 60694047
2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54962256
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide
CID 82852448
N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60693705
(2R)-2-[[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]amino]-3-methylbutanoic acid
CID 7047610
(Z)-4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-ethylbut-2-enoic acid
CID 103255036
2-[(2-hydroxycyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 62360034
N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60693769

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 60694173) is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNC1C=CS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is JYKLJWSSPXPJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)9(3)13-11(14)6-12-10-4-5-17(15,16)7-10/h4-5,8-10,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 260.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60694173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).