N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride

C13H21ClN2O2S — CID 119986951

IUPACN-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1C.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-9-3-6-12(7-10(9)2)18(16,17)15-13(8-14)11-4-5-11;/h3,6-7,11,13,15H,4-5,8,14H2,1-2H3;1H
InChIKeyMMAWRXQLTRLVJQ-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.74
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119986951) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119986951
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1C.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-9-3-6-12(7-10(9)2)18(16,17)15-13(8-14)11-4-5-11;/h3,6-7,11,13,15H,4-5,8,14H2,1-2H3;1H
InChIKeyMMAWRXQLTRLVJQ-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
CID 119983696
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
N-(2-amino-1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119986897
N-(2-amino-1-cyclopropylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 119986962
N-(2-amino-1-cyclopropylethyl)-6-chloro-5-methylpyridine-3-sulfonamide
CID 75431022
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride (CID 119986951) is N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1C.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is MMAWRXQLTRLVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-9-3-6-12(7-10(9)2)18(16,17)15-13(8-14)11-4-5-11;/h3,6-7,11,13,15H,4-5,8,14H2,1-2H3;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).