N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide

C15H23N3O2S — CID 79663909

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C15H23N3O2S/c1-4-18(12-15(2,3)11-17)21(19,20)10-14-7-5-6-13(8-14)9-16/h5-8H,4,10-12,17H2,1-3H3
InChIKeyOAJDQAQBDDYNRJ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.69
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide

N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide (PubChem CID 79663909) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide
PubChem CID79663909
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C15H23N3O2S/c1-4-18(12-15(2,3)11-17)21(19,20)10-14-7-5-6-13(8-14)9-16/h5-8H,4,10-12,17H2,1-3H3
InChIKeyOAJDQAQBDDYNRJ-UHFFFAOYSA-N
XLogP1.69
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879646
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide
CID 119991476
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 79667869
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992112
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 115309924
N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide
CID 119991549
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
3-(2,2-dimethylbutyl)benzonitrile
CID 89172162
methyl 2-[(3-cyanophenyl)methylsulfonyl]butanoate
CID 82177766

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide (CID 79663909) is N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide is CCN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide?
The InChIKey is OAJDQAQBDDYNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-18(12-15(2,3)11-17)21(19,20)10-14-7-5-6-13(8-14)9-16/h5-8H,4,10-12,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(3-cyanophenyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 79663909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).