N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide

C13H18N2O2S — CID 80686692

IUPACN-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCC(CC#N)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C13H18N2O2S/c1-11(13-6-4-3-5-7-13)10-18(16,17)15-12(2)8-9-14/h3-7,11-12,15H,8,10H2,1-2H3
InChIKeyMBYAGBHEZSQBNH-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.01
Rot. Bonds6

About N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide

N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686692) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide
PubChem CID80686692
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCC(CC#N)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C13H18N2O2S/c1-11(13-6-4-3-5-7-13)10-18(16,17)15-12(2)8-9-14/h3-7,11-12,15H,8,10H2,1-2H3
InChIKeyMBYAGBHEZSQBNH-UHFFFAOYSA-N
XLogP2.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686387
N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide
CID 62733698
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458
N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide
CID 80686247
(2S)-4-hydroxy-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 104935033
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
(2S)-4-amino-4-oxo-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80690279
N-ethoxy-2-phenylpropane-1-sulfonamide
CID 80686317
3-(1-phenylpropylamino)butanenitrile
CID 62306250
N-(1-cyanopropan-2-yl)-2-nitrobenzenesulfonamide
CID 62091522
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide (CID 80686692) is N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide is CC(CC#N)NS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide?
The InChIKey is MBYAGBHEZSQBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-11(13-6-4-3-5-7-13)10-18(16,17)15-12(2)8-9-14/h3-7,11-12,15H,8,10H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide?
N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).