4-(methanesulfonamido)cyclohexane-1-carboxamide

C8H16N2O3S — CID 57440944

IUPAC4-(methanesulfonamido)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyBUCVZHYFGIAJON-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.42
Rot. Bonds3

About 4-(methanesulfonamido)cyclohexane-1-carboxamide

4-(methanesulfonamido)cyclohexane-1-carboxamide (PubChem CID 57440944) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-(methanesulfonamido)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(methanesulfonamido)cyclohexane-1-carboxamide
PubChem CID57440944
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name4-(methanesulfonamido)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyBUCVZHYFGIAJON-UHFFFAOYSA-N
XLogP-0.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(methanesulfonamido)cyclohexane-1-carboxamide 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-(methanesulfonamido)cyclohexane-1-carboxamide?
The IUPAC name of 4-(methanesulfonamido)cyclohexane-1-carboxamide (CID 57440944) is 4-(methanesulfonamido)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(methanesulfonamido)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(methanesulfonamido)cyclohexane-1-carboxamide is CS(=O)(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(methanesulfonamido)cyclohexane-1-carboxamide?
The InChIKey is BUCVZHYFGIAJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 4-(methanesulfonamido)cyclohexane-1-carboxamide?
4-(methanesulfonamido)cyclohexane-1-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)cyclohexane-1-carboxamide is sourced from PubChem (CID 57440944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).