N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide

C15H23N3O2S — CID 115309924

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C15H23N3O2S/c1-12(2)8-15(3,11-17)18-21(19,20)10-14-6-4-5-13(7-14)9-16/h4-7,12,18H,8,10-11,17H2,1-3H3
InChIKeyCKDSFLDKVIJPFW-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.74
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide (PubChem CID 115309924) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
PubChem CID115309924
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C15H23N3O2S/c1-12(2)8-15(3,11-17)18-21(19,20)10-14-6-4-5-13(7-14)9-16/h4-7,12,18H,8,10-11,17H2,1-3H3
InChIKeyCKDSFLDKVIJPFW-UHFFFAOYSA-N
XLogP1.74
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43606425
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
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
1-(3-cyanophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 115754866
3-[(2,5-dimethylphenyl)sulfonylmethyl]benzonitrile
CID 60731180
N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide
CID 79663909

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide (CID 115309924) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide?
The InChIKey is CKDSFLDKVIJPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12(2)8-15(3,11-17)18-21(19,20)10-14-6-4-5-13(7-14)9-16/h4-7,12,18H,8,10-11,17H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 115309924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).