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

C9H18N4O2S — CID 106227430

IUPAC1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(CCS(=O)(=O)CC)nn1
InChIInChI=1S/C9H18N4O2S/c1-3-8(10)9-7-13(12-11-9)5-6-16(14,15)4-2/h7-8H,3-6,10H2,1-2H3
InChIKeyZMVLMXDYRSRRKC-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.12
Rot. Bonds6

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

1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine (PubChem CID 106227430) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
PubChem CID106227430
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(CCS(=O)(=O)CC)nn1
InChIInChI=1S/C9H18N4O2S/c1-3-8(10)9-7-13(12-11-9)5-6-16(14,15)4-2/h7-8H,3-6,10H2,1-2H3
InChIKeyZMVLMXDYRSRRKC-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-ethylsulfonylethyl)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

1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
CID 106729351
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106227563
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
4-[4-(1-aminopropyl)triazol-1-yl]-N,N-diethylbutanamide
CID 106228225
3-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylsulfonyl]propanamide
CID 81445214
4-(bromomethyl)-1-(2-ethylsulfonylethyl)triazole
CID 62400113
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227548
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228558
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine (CID 106227430) is 1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine is CCC(N)c1cn(CCS(=O)(=O)CC)nn1.
What is the InChIKey of 1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine?
The InChIKey is ZMVLMXDYRSRRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-8(10)9-7-13(12-11-9)5-6-16(14,15)4-2/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine?
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine 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-ethylsulfonylethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).