N-(2-methylpropyl)-3-methylsulfonylpropanamide

C8H17NO3S — CID 60758373

IUPACN-(2-methylpropyl)-3-methylsulfonylpropanamide
SMILESCC(C)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-7(2)6-9-8(10)4-5-13(3,11)12/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyDQDHWTHWUMBXCD-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.19
Rot. Bonds5

About N-(2-methylpropyl)-3-methylsulfonylpropanamide

N-(2-methylpropyl)-3-methylsulfonylpropanamide (PubChem CID 60758373) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-methylsulfonylpropanamide
PubChem CID60758373
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(2-methylpropyl)-3-methylsulfonylpropanamide
SMILESCC(C)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-7(2)6-9-8(10)4-5-13(3,11)12/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyDQDHWTHWUMBXCD-UHFFFAOYSA-N
XLogP0.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylpropyl)-3-methylsulfonylpropanamide 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-(2-methylpropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-methylpropyl)-3-methylsulfonylpropanamide (CID 60758373) is N-(2-methylpropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-methylpropyl)-3-methylsulfonylpropanamide is CC(C)CNC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-3-methylsulfonylpropanamide?
The InChIKey is DQDHWTHWUMBXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)6-9-8(10)4-5-13(3,11)12/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-methylpropyl)-3-methylsulfonylpropanamide?
N-(2-methylpropyl)-3-methylsulfonylpropanamide has a molecular weight of 207.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 60758373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).