N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide

C14H22N2O5S — CID 120875335

IUPACN-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NC(CN)C2CC2)c(OC)c1
InChIInChI=1S/C14H22N2O5S/c1-19-10-6-12(20-2)14(13(7-10)21-3)22(17,18)16-11(8-15)9-4-5-9/h6-7,9,11,16H,4-5,8,15H2,1-3H3
InChIKeyJQVRBWJQTYRCKY-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.73
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide (PubChem CID 120875335) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
PubChem CID120875335
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NC(CN)C2CC2)c(OC)c1
InChIInChI=1S/C14H22N2O5S/c1-19-10-6-12(20-2)14(13(7-10)21-3)22(17,18)16-11(8-15)9-4-5-9/h6-7,9,11,16H,4-5,8,15H2,1-3H3
InChIKeyJQVRBWJQTYRCKY-UHFFFAOYSA-N
XLogP0.73
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120713602
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
2,4,6-trimethoxybenzenesulfonohydrazide
CID 96666055
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide (CID 120875335) is N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NC(CN)C2CC2)c(OC)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide?
The InChIKey is JQVRBWJQTYRCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-19-10-6-12(20-2)14(13(7-10)21-3)22(17,18)16-11(8-15)9-4-5-9/h6-7,9,11,16H,4-5,8,15H2,1-3H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide is sourced from PubChem (CID 120875335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).