4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C11H19NO6S2 — CID 60807922

IUPAC4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H19NO6S2/c13-11(14)8-1-3-9(4-2-8)12-20(17,18)10-5-6-19(15,16)7-10/h8-10,12H,1-7H2,(H,13,14)
InChIKeyYSNRRJLNJPXRBI-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.26
Rot. Bonds4

About 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 60807922) has the molecular formula C11H19NO6S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID60807922
Molecular FormulaC11H19NO6S2
Molecular Weight325.41 g/mol
Exact Mass325.07
IUPAC Name4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H19NO6S2/c13-11(14)8-1-3-9(4-2-8)12-20(17,18)10-5-6-19(15,16)7-10/h8-10,12H,1-7H2,(H,13,14)
InChIKeyYSNRRJLNJPXRBI-UHFFFAOYSA-N
XLogP-0.26
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid 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 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 60807922) is 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YSNRRJLNJPXRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S2/c13-11(14)8-1-3-9(4-2-8)12-20(17,18)10-5-6-19(15,16)7-10/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60807922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).