N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide

C14H21N3O2S — CID 43606425

IUPACN-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C14H21N3O2S/c1-11(2)6-14(16)9-17-20(18,19)10-13-5-3-4-12(7-13)8-15/h3-5,7,11,14,17H,6,9-10,16H2,1-2H3
InChIKeyNXLYOOXJOXMJFP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.35
Rot. Bonds7

About N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide

N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide (PubChem CID 43606425) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
PubChem CID43606425
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C14H21N3O2S/c1-11(2)6-14(16)9-17-20(18,19)10-13-5-3-4-12(7-13)8-15/h3-5,7,11,14,17H,6,9-10,16H2,1-2H3
InChIKeyNXLYOOXJOXMJFP-UHFFFAOYSA-N
XLogP1.35
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
CID 43606402
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
1-(3-cyanophenyl)-N-[2-methyl-3-(methylamino)propyl]methanesulfonamide
CID 115302875
1-(3-cyanophenyl)-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
CID 115755079
1-(3-cyanophenyl)-N-(2-methoxypropyl)methanesulfonamide
CID 102697469
methyl 3-[(3-cyanophenyl)methylsulfonylamino]-2-hydroxypropanoate
CID 103878673
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
CID 55171408
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 115309924
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
1-(3-cyanophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 115754866

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide (CID 43606425) is N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide is CC(C)CC(N)CNS(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide?
The InChIKey is NXLYOOXJOXMJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11(2)6-14(16)9-17-20(18,19)10-13-5-3-4-12(7-13)8-15/h3-5,7,11,14,17H,6,9-10,16H2,1-2H3.
What are the key properties of N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide?
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 43606425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).