1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C17H30N4S — CID 6489338

IUPAC1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCSc1nnc(C2CCCN(C3CCCCC3)C2)n1C(C)C
InChIInChI=1S/C17H30N4S/c1-13(2)21-16(18-19-17(21)22-3)14-8-7-11-20(12-14)15-9-5-4-6-10-15/h13-15H,4-12H2,1-3H3
InChIKeyUGBRTQWXJKROGZ-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.09
Rot. Bonds4

About 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 6489338) has the molecular formula C17H30N4S and a molecular weight of 322.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID6489338
Molecular FormulaC17H30N4S
Molecular Weight322.52 g/mol
Exact Mass322.22
IUPAC Name1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCSc1nnc(C2CCCN(C3CCCCC3)C2)n1C(C)C
InChIInChI=1S/C17H30N4S/c1-13(2)21-16(18-19-17(21)22-3)14-8-7-11-20(12-14)15-9-5-4-6-10-15/h13-15H,4-12H2,1-3H3
InChIKeyUGBRTQWXJKROGZ-UHFFFAOYSA-N
XLogP4.09
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 6489427
(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 95111280
2-[4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-[(3S)-3-(thiadiazol-4-yl)piperidin-1-yl]ethanone
CID 92581584
4-[[5-[(3S)-1-cyclopentylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885667
(3S)-1-cycloheptyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 97188602
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
5-(1-cyclohexylpiperidin-3-yl)-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56754248
3-[[3-[4-propan-2-yl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 6489371
1-cyclohexylazetidine;2-methylpropane
CID 178017193
1-cyclohexyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110269139
(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
CID 95889163
4-[[4-methyl-5-[(3S)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95868982

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 6489338) is 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CSc1nnc(C2CCCN(C3CCCCC3)C2)n1C(C)C.
What is the InChIKey of 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is UGBRTQWXJKROGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4S/c1-13(2)21-16(18-19-17(21)22-3)14-8-7-11-20(12-14)15-9-5-4-6-10-15/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 322.52 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 6489338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).