5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide

C12H19N3O3S — CID 103286902

IUPAC5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N(CCO)C1CC1
InChIInChI=1S/C12H19N3O3S/c1-14-19(17,18)12-8-9(13)2-5-11(12)15(6-7-16)10-3-4-10/h2,5,8,10,14,16H,3-4,6-7,13H2,1H3
InChIKeyXVGXHPVBGQQXRN-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.14
Rot. Bonds6

About 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide

5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide (PubChem CID 103286902) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
PubChem CID103286902
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N(CCO)C1CC1
InChIInChI=1S/C12H19N3O3S/c1-14-19(17,18)12-8-9(13)2-5-11(12)15(6-7-16)10-3-4-10/h2,5,8,10,14,16H,3-4,6-7,13H2,1H3
InChIKeyXVGXHPVBGQQXRN-UHFFFAOYSA-N
XLogP0.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide 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

5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286700
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
5-amino-2-[cyclopentylmethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103287062
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035
2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
CID 102859641
5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
CID 43449230
5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 103286581
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580
5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide
CID 79900402

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide (CID 103286902) is 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1N(CCO)C1CC1.
What is the InChIKey of 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is XVGXHPVBGQQXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-14-19(17,18)12-8-9(13)2-5-11(12)15(6-7-16)10-3-4-10/h2,5,8,10,14,16H,3-4,6-7,13H2,1H3.
What are the key properties of 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide?
5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).