1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine

C12H22N4O2S — CID 62710919

IUPAC1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4O2S/c1-19(17,18)8-7-11(13)12-15-14-9-16(12)10-5-3-2-4-6-10/h9-11H,2-8,13H2,1H3
InChIKeyCOLZBXMPKTZKMW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.22
Rot. Bonds5

About 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine

1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 62710919) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine
PubChem CID62710919
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4O2S/c1-19(17,18)8-7-11(13)12-15-14-9-16(12)10-5-3-2-4-6-10/h9-11H,2-8,13H2,1H3
InChIKeyCOLZBXMPKTZKMW-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine (CID 62710919) is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCC(N)c1nncn1C1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is COLZBXMPKTZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-19(17,18)8-7-11(13)12-15-14-9-16(12)10-5-3-2-4-6-10/h9-11H,2-8,13H2,1H3.
What are the key properties of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine?
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 62710919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).