N-methyl-N-propylpropane-2-sulfonamide

C7H17NO2S — CID 58757139

IUPACN-methyl-N-propylpropane-2-sulfonamide
SMILESCCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H17NO2S/c1-5-6-8(4)11(9,10)7(2)3/h7H,5-6H2,1-4H3
InChIKeyZDOGAONIPCFTPT-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.07
Rot. Bonds4

About N-methyl-N-propylpropane-2-sulfonamide

N-methyl-N-propylpropane-2-sulfonamide (PubChem CID 58757139) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-methyl-N-propylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-propylpropane-2-sulfonamide
PubChem CID58757139
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-methyl-N-propylpropane-2-sulfonamide
SMILESCCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C7H17NO2S/c1-5-6-8(4)11(9,10)7(2)3/h7H,5-6H2,1-4H3
InChIKeyZDOGAONIPCFTPT-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-propylpropane-2-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 N-methyl-N-propylpropane-2-sulfonamide?
The IUPAC name of N-methyl-N-propylpropane-2-sulfonamide (CID 58757139) is N-methyl-N-propylpropane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-propylpropane-2-sulfonamide?
The canonical SMILES for N-methyl-N-propylpropane-2-sulfonamide is CCCN(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-propylpropane-2-sulfonamide?
The InChIKey is ZDOGAONIPCFTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-6-8(4)11(9,10)7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of N-methyl-N-propylpropane-2-sulfonamide?
N-methyl-N-propylpropane-2-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylpropane-2-sulfonamide is sourced from PubChem (CID 58757139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).