3-(3-methylbutylsulfonyl)propanamide

C8H17NO3S — CID 57487205

IUPAC3-(3-methylbutylsulfonyl)propanamide
SMILESCC(C)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C8H17NO3S/c1-7(2)3-5-13(11,12)6-4-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyDFVQLIDCCIFCTO-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.32
Rot. Bonds6

About 3-(3-methylbutylsulfonyl)propanamide

3-(3-methylbutylsulfonyl)propanamide (PubChem CID 57487205) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(3-methylbutylsulfonyl)propanamide.

Molecular Properties

Compound Name3-(3-methylbutylsulfonyl)propanamide
PubChem CID57487205
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-(3-methylbutylsulfonyl)propanamide
SMILESCC(C)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C8H17NO3S/c1-7(2)3-5-13(11,12)6-4-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyDFVQLIDCCIFCTO-UHFFFAOYSA-N
XLogP0.32
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylbutylsulfonyl)propanamide 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-(3-methylbutylsulfonyl)propanamide?
The IUPAC name of 3-(3-methylbutylsulfonyl)propanamide (CID 57487205) is 3-(3-methylbutylsulfonyl)propanamide.
What is the SMILES notation for 3-(3-methylbutylsulfonyl)propanamide?
The canonical SMILES for 3-(3-methylbutylsulfonyl)propanamide is CC(C)CCS(=O)(=O)CCC(N)=O.
What is the InChIKey of 3-(3-methylbutylsulfonyl)propanamide?
The InChIKey is DFVQLIDCCIFCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)3-5-13(11,12)6-4-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 3-(3-methylbutylsulfonyl)propanamide?
3-(3-methylbutylsulfonyl)propanamide has a molecular weight of 207.29 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylsulfonyl)propanamide is sourced from PubChem (CID 57487205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).