2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide

C13H23NO3S2 — CID 96525545

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H23NO3S2/c1-10-2-4-11(5-3-10)14-13(15)8-18-12-6-7-19(16,17)9-12/h10-12H,2-9H2,1H3,(H,14,15)/t10?,11?,12-/m1/s1
InChIKeyGWHRCYMKXRKWMT-HTAVTVPLSA-N
MW305.47 g/mol
LogP1.60
Rot. Bonds4

About 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide

2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 96525545) has the molecular formula C13H23NO3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
PubChem CID96525545
Molecular FormulaC13H23NO3S2
Molecular Weight305.47 g/mol
Exact Mass305.11
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H23NO3S2/c1-10-2-4-11(5-3-10)14-13(15)8-18-12-6-7-19(16,17)9-12/h10-12H,2-9H2,1H3,(H,14,15)/t10?,11?,12-/m1/s1
InChIKeyGWHRCYMKXRKWMT-HTAVTVPLSA-N
XLogP1.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18777901
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylcyclohexyl)urea
CID 98160954
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631231
N-cyano-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 79194937
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 98720693
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79676127
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750856

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide (CID 96525545) is 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is GWHRCYMKXRKWMT-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H23NO3S2/c1-10-2-4-11(5-3-10)14-13(15)8-18-12-6-7-19(16,17)9-12/h10-12H,2-9H2,1H3,(H,14,15)/t10?,11?,12-/m1/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide?
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 305.47 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 96525545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).