N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide

C13H22N2O2S — CID 43136946

IUPACN-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
SMILESCCCN(CCCN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-2-10-15(11-6-9-14)18(16,17)12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,14H2,1H3
InChIKeyKJBBGFZBIXRBNB-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.58
Rot. Bonds8

About N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide

N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide (PubChem CID 43136946) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
PubChem CID43136946
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
SMILESCCCN(CCCN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-2-10-15(11-6-9-14)18(16,17)12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,14H2,1H3
InChIKeyKJBBGFZBIXRBNB-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide 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-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 63287056
N-(2-bromoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 80669812
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
methyl 3-[3-aminopropyl(benzyl)sulfamoyl]propanoate
CID 107366691
N-dodecyl-N-[2-(hydroxyamino)oxyethyl]-1-phenylmethanesulfonamide
CID 54016004
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
4-[benzyl(propyl)sulfamoyl]butanoic acid
CID 43173076
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide (CID 43136946) is N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide is CCCN(CCCN)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide?
The InChIKey is KJBBGFZBIXRBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-10-15(11-6-9-14)18(16,17)12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide?
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide is sourced from PubChem (CID 43136946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).