N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide

C12H20N2O2S — CID 62668350

IUPACN-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)CN)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-9-4-5-12(11(3)6-9)17(15,16)14-8-10(2)7-13/h4-6,10,14H,7-8,13H2,1-3H3
InChIKeyJSJJNVNKPLPBEF-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.18
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide

N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 62668350) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
PubChem CID62668350
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)CN)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-9-4-5-12(11(3)6-9)17(15,16)14-8-10(2)7-13/h4-6,10,14H,7-8,13H2,1-3H3
InChIKeyJSJJNVNKPLPBEF-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 66109314
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
CID 106141546
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
4-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63982011
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936827
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282581
N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide
CID 106118251
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide (CID 62668350) is N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)CN)c(C)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is JSJJNVNKPLPBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-4-5-12(11(3)6-9)17(15,16)14-8-10(2)7-13/h4-6,10,14H,7-8,13H2,1-3H3.
What are the key properties of N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide?
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62668350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).