2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone

C16H26N4O3S — CID 90592311

IUPAC2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H26N4O3S/c1-19-12-17-18-16(19)24(22,23)14-7-9-20(10-8-14)15(21)11-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyCRUZJAASJVMYME-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.55
Rot. Bonds4

About 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone (PubChem CID 90592311) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
PubChem CID90592311
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H26N4O3S/c1-19-12-17-18-16(19)24(22,23)14-7-9-20(10-8-14)15(21)11-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyCRUZJAASJVMYME-UHFFFAOYSA-N
XLogP1.55
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone (CID 90592311) is 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone is Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone?
The InChIKey is CRUZJAASJVMYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-19-12-17-18-16(19)24(22,23)14-7-9-20(10-8-14)15(21)11-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone has a molecular weight of 354.48 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90592311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).