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

C12H22N4O2S — CID 167859112

IUPAC1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(CCS(=O)(=O)C2CCCCC2)nn1
InChIInChI=1S/C12H22N4O2S/c1-10(13)12-9-16(15-14-12)7-8-19(17,18)11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3
InChIKeyMUTXIQHAGUXUSO-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.05
Rot. Bonds5

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

1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine (PubChem CID 167859112) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine
PubChem CID167859112
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(CCS(=O)(=O)C2CCCCC2)nn1
InChIInChI=1S/C12H22N4O2S/c1-10(13)12-9-16(15-14-12)7-8-19(17,18)11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3
InChIKeyMUTXIQHAGUXUSO-UHFFFAOYSA-N
XLogP1.05
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
CID 106729351
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
CID 114420137
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine
CID 114420179
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
4-cyclopentylsulfonylbutan-2-amine
CID 64674097

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine (CID 167859112) is 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine is CC(N)c1cn(CCS(=O)(=O)C2CCCCC2)nn1.
What is the InChIKey of 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine?
The InChIKey is MUTXIQHAGUXUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(13)12-9-16(15-14-12)7-8-19(17,18)11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3.
What are the key properties of 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine?
1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylsulfonylethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 167859112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).