N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide

C13H21NO2S — CID 110358143

IUPACN-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)Cc1ccccc1
InChIInChI=1S/C13H21NO2S/c1-3-9-17(15,16)14-11-12(2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyUKVLFDKYDFKMIX-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.19
Rot. Bonds7

About N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide

N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide (PubChem CID 110358143) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
PubChem CID110358143
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)Cc1ccccc1
InChIInChI=1S/C13H21NO2S/c1-3-9-17(15,16)14-11-12(2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyUKVLFDKYDFKMIX-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine
CID 110608620
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
CID 95635513
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
N-[2-(2-chloroethyl)pentyl]-2-phenylethanesulfonamide
CID 106118299
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide
CID 66089022

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide (CID 110358143) is N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)Cc1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide?
The InChIKey is UKVLFDKYDFKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-9-17(15,16)14-11-12(2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide?
N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 110358143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).