N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide

C13H22N2O2S — CID 54973831

IUPACN-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-12(2)14-10-7-11-18(16,17)15(3)13-8-5-4-6-9-13/h4-6,8-9,12,14H,7,10-11H2,1-3H3
InChIKeyJFQWBFDEWGQWMJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.84
Rot. Bonds7

About N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide

N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 54973831) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID54973831
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-12(2)14-10-7-11-18(16,17)15(3)13-8-5-4-6-9-13/h4-6,8-9,12,14H,7,10-11H2,1-3H3
InChIKeyJFQWBFDEWGQWMJ-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N-phenyl-3-(propan-2-ylamino)propane-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

Related Compounds

N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 62002866
N-butyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 64586372
N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 54465644
N-hydroxy-8-[methyl(phenyl)sulfamoyl]octanamide
CID 10131480
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972433
N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62003809
3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 79580450
2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
CID 18522092
3-[methyl(phenyl)sulfamoyl]-N-propylpropanamide
CID 110342905
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
N-(2-methylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974110
3-(3-methylphenyl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 64675077

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide (CID 54973831) is N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is JFQWBFDEWGQWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-12(2)14-10-7-11-18(16,17)15(3)13-8-5-4-6-9-13/h4-6,8-9,12,14H,7,10-11H2,1-3H3.
What are the key properties of N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide?
N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 54973831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).