N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide

C13H20N2O3S — CID 119986704

IUPACN-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CN)C2CC2)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-9-7-11(18-2)5-6-13(9)19(16,17)15-12(8-14)10-3-4-10/h5-7,10,12,15H,3-4,8,14H2,1-2H3
InChIKeyHKBCZXFZVWNEAM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.02
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 119986704) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
PubChem CID119986704
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CN)C2CC2)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-9-7-11(18-2)5-6-13(9)19(16,17)15-12(8-14)10-3-4-10/h5-7,10,12,15H,3-4,8,14H2,1-2H3
InChIKeyHKBCZXFZVWNEAM-UHFFFAOYSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
CID 65188507
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119987079
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride
CID 120585033
N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 120875335
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide (CID 119986704) is N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC(CN)C2CC2)c(C)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is HKBCZXFZVWNEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-7-11(18-2)5-6-13(9)19(16,17)15-12(8-14)10-3-4-10/h5-7,10,12,15H,3-4,8,14H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 119986704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).