3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide

C9H21NO4S2 — CID 89350528

IUPAC3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide
SMILESCCC(CC)NS(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-4-9(5-2)10-16(13,14)8-6-7-15(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyMOGOIEIOAGUUPF-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.53
Rot. Bonds8

About 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide

3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide (PubChem CID 89350528) has the molecular formula C9H21NO4S2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide
PubChem CID89350528
Molecular FormulaC9H21NO4S2
Molecular Weight271.40 g/mol
Exact Mass271.09
IUPAC Name3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide
SMILESCCC(CC)NS(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-4-9(5-2)10-16(13,14)8-6-7-15(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyMOGOIEIOAGUUPF-UHFFFAOYSA-N
XLogP0.53
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide 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 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide?
The IUPAC name of 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide (CID 89350528) is 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide?
The canonical SMILES for 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide is CCC(CC)NS(=O)(=O)CCCS(C)(=O)=O.
What is the InChIKey of 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide?
The InChIKey is MOGOIEIOAGUUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S2/c1-4-9(5-2)10-16(13,14)8-6-7-15(3,11)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide?
3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide has a molecular weight of 271.40 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-pentan-3-ylpropane-1-sulfonamide is sourced from PubChem (CID 89350528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).