N-(3-cyanopentan-3-yl)methanesulfonamide

C7H14N2O2S — CID 61123517

IUPACN-(3-cyanopentan-3-yl)methanesulfonamide
SMILESCCC(C#N)(CC)NS(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-4-7(5-2,6-8)9-12(3,10)11/h9H,4-5H2,1-3H3
InChIKeyQBHRVXHEGZDSKV-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.62
Rot. Bonds4

About N-(3-cyanopentan-3-yl)methanesulfonamide

N-(3-cyanopentan-3-yl)methanesulfonamide (PubChem CID 61123517) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)methanesulfonamide
PubChem CID61123517
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(3-cyanopentan-3-yl)methanesulfonamide
SMILESCCC(C#N)(CC)NS(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-4-7(5-2,6-8)9-12(3,10)11/h9H,4-5H2,1-3H3
InChIKeyQBHRVXHEGZDSKV-UHFFFAOYSA-N
XLogP0.62
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-cyanopentan-3-yl)methanesulfonamide 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-cyanopentan-3-yl)methanesulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)methanesulfonamide (CID 61123517) is N-(3-cyanopentan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)methanesulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)methanesulfonamide is CCC(C#N)(CC)NS(C)(=O)=O.
What is the InChIKey of N-(3-cyanopentan-3-yl)methanesulfonamide?
The InChIKey is QBHRVXHEGZDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-4-7(5-2,6-8)9-12(3,10)11/h9H,4-5H2,1-3H3.
What are the key properties of N-(3-cyanopentan-3-yl)methanesulfonamide?
N-(3-cyanopentan-3-yl)methanesulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)methanesulfonamide is sourced from PubChem (CID 61123517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).