N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C9H18N4O2S — CID 62117341

IUPACN-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1nncn1C
InChIInChI=1S/C9H18N4O2S/c1-4-16(14,15)6-5-10-8(2)9-12-11-7-13(9)3/h7-8,10H,4-6H2,1-3H3
InChIKeyHRLSOKOLHOGEPN-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.10
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 62117341) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID62117341
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1nncn1C
InChIInChI=1S/C9H18N4O2S/c1-4-16(14,15)6-5-10-8(2)9-12-11-7-13(9)3/h7-8,10H,4-6H2,1-3H3
InChIKeyHRLSOKOLHOGEPN-UHFFFAOYSA-N
XLogP-0.10
TPSA76.88 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 ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-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 N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 62117341) is N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CCS(=O)(=O)CCNC(C)c1nncn1C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is HRLSOKOLHOGEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-4-16(14,15)6-5-10-8(2)9-12-11-7-13(9)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 246.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 62117341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).