2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide

C13H21NO3S — CID 21179639

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CC1C=CS(=O)(=O)C1
InChIInChI=1S/C13H21NO3S/c1-10-4-2-3-5-12(10)14-13(15)8-11-6-7-18(16,17)9-11/h6-7,10-12H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyBZJZFELEZWFSKT-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.63
Rot. Bonds3

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 21179639) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID21179639
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CC1C=CS(=O)(=O)C1
InChIInChI=1S/C13H21NO3S/c1-10-4-2-3-5-12(10)14-13(15)8-11-6-7-18(16,17)9-11/h6-7,10-12H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyBZJZFELEZWFSKT-UHFFFAOYSA-N
XLogP1.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetate
CID 7116289
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
N-(2-methylcyclohexyl)butanamide
CID 47005567
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465971
N-(2-methylcyclohexyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107147462
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl chloride
CID 13356225
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetate
CID 78442606
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)acetamide
CID 166203022
2-(cyclopropylmethylamino)-N-(2-methylcyclopentyl)acetamide
CID 63281463

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide (CID 21179639) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CC1C=CS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is BZJZFELEZWFSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10-4-2-3-5-12(10)14-13(15)8-11-6-7-18(16,17)9-11/h6-7,10-12H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 271.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 21179639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).