N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide

C12H20N2O2S — CID 66092322

IUPACN-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)CCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-10-3-5-12(6-4-10)17(15,16)14-9-11(2)7-8-13/h3-6,11,14H,7-9,13H2,1-2H3
InChIKeyMFMJWVPFQAMRIN-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.26
Rot. Bonds6

About N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide

N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide (PubChem CID 66092322) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
PubChem CID66092322
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)CCN)cc1
InChIInChI=1S/C12H20N2O2S/c1-10-3-5-12(6-4-10)17(15,16)14-9-11(2)7-8-13/h3-6,11,14H,7-9,13H2,1-2H3
InChIKeyMFMJWVPFQAMRIN-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
[2-methyl-3-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate
CID 25158928
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028
N'-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanimidamide
CID 76953347
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 106357500
N-[(2S)-3-amino-2-methylpropyl]-4-(dimethylamino)benzenesulfonamide
CID 139490777
N-(4-chloro-2-methylbutyl)-4-fluorobenzenesulfonamide
CID 66092046

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide (CID 66092322) is N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)CCN)cc1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide?
The InChIKey is MFMJWVPFQAMRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10-3-5-12(6-4-10)17(15,16)14-9-11(2)7-8-13/h3-6,11,14H,7-9,13H2,1-2H3.
What are the key properties of N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide?
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 66092322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).