N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide

C12H21NO3S — CID 3601722

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide
SMILESCC1(NC(=O)C2CCCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO3S/c1-12(7-8-17(15,16)9-12)13-11(14)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyHHTYHPHXDOHUQZ-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.26
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide

N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide (PubChem CID 3601722) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide
PubChem CID3601722
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide
SMILESCC1(NC(=O)C2CCCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO3S/c1-12(7-8-17(15,16)9-12)13-11(14)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyHHTYHPHXDOHUQZ-UHFFFAOYSA-N
XLogP1.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide (CID 3601722) is N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide is CC1(NC(=O)C2CCCCC2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide?
The InChIKey is HHTYHPHXDOHUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-12(7-8-17(15,16)9-12)13-11(14)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide has a molecular weight of 259.37 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3601722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).