2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol

C12H18N2O3S — CID 82002580

IUPAC2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
SMILESCS(=O)(=O)c1cccc(N(CCO)C2CC2)c1N
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)11-4-2-3-10(12(11)13)14(7-8-15)9-5-6-9/h2-4,9,15H,5-8,13H2,1H3
InChIKeySHIVDBAJSJTQJE-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.63
Rot. Bonds5

About 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol

2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol (PubChem CID 82002580) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
PubChem CID82002580
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
SMILESCS(=O)(=O)c1cccc(N(CCO)C2CC2)c1N
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)11-4-2-3-10(12(11)13)14(7-8-15)9-5-6-9/h2-4,9,15H,5-8,13H2,1H3
InChIKeySHIVDBAJSJTQJE-UHFFFAOYSA-N
XLogP0.63
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-1-N-ethyl-3-methylsulfonylbenzene-1,2-diamine
CID 82003441
1-N-cyclopropyl-3-methylsulfonyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 82003148
2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol
CID 82002299
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
CID 115545488
2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107115768
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116376
1-N,1-N-diethyl-3-methylsulfonylbenzene-1,2-diamine
CID 82002554

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol?
The IUPAC name of 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol (CID 82002580) is 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol is CS(=O)(=O)c1cccc(N(CCO)C2CC2)c1N.
What is the InChIKey of 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol?
The InChIKey is SHIVDBAJSJTQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)11-4-2-3-10(12(11)13)14(7-8-15)9-5-6-9/h2-4,9,15H,5-8,13H2,1H3.
What are the key properties of 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol?
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol has a molecular weight of 270.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol is sourced from PubChem (CID 82002580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).