N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide

C13H19N3O2S — CID 75431138

IUPACN-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide
SMILESCCCC(N)CNS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C13H19N3O2S/c1-2-4-13(15)9-16-19(17,18)10-12-6-3-5-11(7-12)8-14/h3,5-7,13,16H,2,4,9-10,15H2,1H3
InChIKeyPAGMOAJMXOUOAV-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.11
Rot. Bonds7

About N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide

N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide (PubChem CID 75431138) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide
PubChem CID75431138
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide
SMILESCCCC(N)CNS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C13H19N3O2S/c1-2-4-13(15)9-16-19(17,18)10-12-6-3-5-11(7-12)8-14/h3,5-7,13,16H,2,4,9-10,15H2,1H3
InChIKeyPAGMOAJMXOUOAV-UHFFFAOYSA-N
XLogP1.11
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide (CID 75431138) is N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide is CCCC(N)CNS(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide?
The InChIKey is PAGMOAJMXOUOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-4-13(15)9-16-19(17,18)10-12-6-3-5-11(7-12)8-14/h3,5-7,13,16H,2,4,9-10,15H2,1H3.
What are the key properties of N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide?
N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-1-(3-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 75431138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).