2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide

C15H27N3O2S — CID 115310162

IUPAC2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC(C)(CN)CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-5-17-21(19,20)14-9-7-6-8-13(14)18-15(4,11-16)10-12(2)3/h6-9,12,17-18H,5,10-11,16H2,1-4H3
InChIKeyLNGMVJVHNAUIJH-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.16
Rot. Bonds8

About 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide (PubChem CID 115310162) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide
PubChem CID115310162
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC(C)(CN)CC(C)C
InChIInChI=1S/C15H27N3O2S/c1-5-17-21(19,20)14-9-7-6-8-13(14)18-15(4,11-16)10-12(2)3/h6-9,12,17-18H,5,10-11,16H2,1-4H3
InChIKeyLNGMVJVHNAUIJH-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 115310076
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
CID 115310851
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide
CID 106142885
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 119985196
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
CID 107568567

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide (CID 115310162) is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NC(C)(CN)CC(C)C.
What is the InChIKey of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide?
The InChIKey is LNGMVJVHNAUIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-17-21(19,20)14-9-7-6-8-13(14)18-15(4,11-16)10-12(2)3/h6-9,12,17-18H,5,10-11,16H2,1-4H3.
What are the key properties of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide?
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 115310162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).