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

C7H14N4O2S — CID 114419540

IUPAC1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(CCS(C)(=O)=O)nn1
InChIInChI=1S/C7H14N4O2S/c1-6(8)7-5-11(10-9-7)3-4-14(2,12)13/h5-6H,3-4,8H2,1-2H3
InChIKeyTYWWIESRIARONJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.66
Rot. Bonds4

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

1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine (PubChem CID 114419540) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
PubChem CID114419540
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(CCS(C)(=O)=O)nn1
InChIInChI=1S/C7H14N4O2S/c1-6(8)7-5-11(10-9-7)3-4-14(2,12)13/h5-6H,3-4,8H2,1-2H3
InChIKeyTYWWIESRIARONJ-UHFFFAOYSA-N
XLogP-0.66
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine (CID 114419540) is 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine is CC(N)c1cn(CCS(C)(=O)=O)nn1.
What is the InChIKey of 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine?
The InChIKey is TYWWIESRIARONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-6(8)7-5-11(10-9-7)3-4-14(2,12)13/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine?
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine has a molecular weight of 218.28 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114419540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).