2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide

C14H22N2O2S — CID 103739342

IUPAC2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1ccccc1C1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-16-19(17,18)10-9-15-11-13-5-3-4-6-14(13)12-7-8-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyABRXFUHYULZACO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds8

About 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide

2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide (PubChem CID 103739342) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide
PubChem CID103739342
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1ccccc1C1CC1
InChIInChI=1S/C14H22N2O2S/c1-2-16-19(17,18)10-9-15-11-13-5-3-4-6-14(13)12-7-8-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyABRXFUHYULZACO-UHFFFAOYSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide (CID 103739342) is 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNCc1ccccc1C1CC1.
What is the InChIKey of 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide?
The InChIKey is ABRXFUHYULZACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-16-19(17,18)10-9-15-11-13-5-3-4-6-14(13)12-7-8-12/h3-6,12,15-16H,2,7-11H2,1H3.
What are the key properties of 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide?
2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide is sourced from PubChem (CID 103739342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).