3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine

C8H16N4O2S — CID 106220688

IUPAC3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
SMILESCS(=O)(=O)CCn1cc(CCCN)nn1
InChIInChI=1S/C8H16N4O2S/c1-15(13,14)6-5-12-7-8(10-11-12)3-2-4-9/h7H,2-6,9H2,1H3
InChIKeyGEKVQNFTQGWVOC-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.79
Rot. Bonds6

About 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine

3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine (PubChem CID 106220688) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
PubChem CID106220688
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
SMILESCS(=O)(=O)CCn1cc(CCCN)nn1
InChIInChI=1S/C8H16N4O2S/c1-15(13,14)6-5-12-7-8(10-11-12)3-2-4-9/h7H,2-6,9H2,1H3
InChIKeyGEKVQNFTQGWVOC-UHFFFAOYSA-N
XLogP-0.79
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine 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

3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220819
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide
CID 106221658
3-[1-(3-methylsulfonylpropyl)triazol-4-yl]propanoic acid
CID 107460770
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
CID 106221129
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
3-[4-(3-aminopropyl)triazol-1-yl]-2-methylpropanamide
CID 106221461

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine (CID 106220688) is 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine is CS(=O)(=O)CCn1cc(CCCN)nn1.
What is the InChIKey of 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine?
The InChIKey is GEKVQNFTQGWVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-15(13,14)6-5-12-7-8(10-11-12)3-2-4-9/h7H,2-6,9H2,1H3.
What are the key properties of 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine?
3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine has a molecular weight of 232.31 g/mol, XLogP of -0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).