N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide

C14H24N2O2S — CID 106141735

IUPACN-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)(C)CCCN)c1
InChIInChI=1S/C14H24N2O2S/c1-12-6-4-7-13(10-12)19(17,18)16-11-14(2,3)8-5-9-15/h4,6-7,10,16H,5,8-9,11,15H2,1-3H3
InChIKeyVZXWYBZCCUCKAZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.04
Rot. Bonds7

About N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide

N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide (PubChem CID 106141735) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
PubChem CID106141735
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)(C)CCCN)c1
InChIInChI=1S/C14H24N2O2S/c1-12-6-4-7-13(10-12)19(17,18)16-11-14(2,3)8-5-9-15/h4,6-7,10,16H,5,8-9,11,15H2,1-3H3
InChIKeyVZXWYBZCCUCKAZ-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide
CID 106251096
N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 103835403
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 103835067
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
CID 106141546
N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
CID 106141876
3-hydroxy-3-methyl-4-[(3-methylphenyl)sulfonylamino]butanoic acid
CID 66001569
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine
CID 106714769
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
N-(4-bromo-2,2-dimethylbutyl)-3-fluorobenzenesulfonamide
CID 114149778

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide (CID 106141735) is N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCC(C)(C)CCCN)c1.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide?
The InChIKey is VZXWYBZCCUCKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12-6-4-7-13(10-12)19(17,18)16-11-14(2,3)8-5-9-15/h4,6-7,10,16H,5,8-9,11,15H2,1-3H3.
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide?
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106141735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).