2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide

C13H23NO3S — CID 3841524

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C13H23NO3S/c1-10-4-2-3-5-12(10)14-13(15)8-11-6-7-18(16,17)9-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyJHCCXXGJRNLEFE-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.51
Rot. Bonds3

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

2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 3841524) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID3841524
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C13H23NO3S/c1-10-4-2-3-5-12(10)14-13(15)8-11-6-7-18(16,17)9-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyJHCCXXGJRNLEFE-UHFFFAOYSA-N
XLogP1.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide (CID 3841524) is 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is JHCCXXGJRNLEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-10-4-2-3-5-12(10)14-13(15)8-11-6-7-18(16,17)9-11/h10-12H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 273.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 3841524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).