1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine

C9H18N4O2S — CID 106729351

IUPAC1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
SMILESCCCS(=O)(=O)CCn1cc(C(C)N)nn1
InChIInChI=1S/C9H18N4O2S/c1-3-5-16(14,15)6-4-13-7-9(8(2)10)11-12-13/h7-8H,3-6,10H2,1-2H3
InChIKeyUJKOKSYILTWIAO-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.12
Rot. Bonds6

About 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine

1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine (PubChem CID 106729351) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
PubChem CID106729351
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
SMILESCCCS(=O)(=O)CCn1cc(C(C)N)nn1
InChIInChI=1S/C9H18N4O2S/c1-3-5-16(14,15)6-4-13-7-9(8(2)10)11-12-13/h7-8H,3-6,10H2,1-2H3
InChIKeyUJKOKSYILTWIAO-UHFFFAOYSA-N
XLogP0.12
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine (CID 106729351) is 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine is CCCS(=O)(=O)CCn1cc(C(C)N)nn1.
What is the InChIKey of 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine?
The InChIKey is UJKOKSYILTWIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-5-16(14,15)6-4-13-7-9(8(2)10)11-12-13/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine?
1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine has a molecular weight of 246.34 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 106729351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).