2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine

C15H22N6O2S — CID 87052218

IUPAC2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCn1cnc(S(=O)(=O)N2CCCCC2c2nncn2CC2CC2)c1
InChIInChI=1S/C15H22N6O2S/c1-19-9-14(16-10-19)24(22,23)21-7-3-2-4-13(21)15-18-17-11-20(15)8-12-5-6-12/h9-13H,2-8H2,1H3
InChIKeyNBTPHYSESAWFFL-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.34
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine

2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine (PubChem CID 87052218) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
PubChem CID87052218
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCn1cnc(S(=O)(=O)N2CCCCC2c2nncn2CC2CC2)c1
InChIInChI=1S/C15H22N6O2S/c1-19-9-14(16-10-19)24(22,23)21-7-3-2-4-13(21)15-18-17-11-20(15)8-12-5-6-12/h9-13H,2-8H2,1H3
InChIKeyNBTPHYSESAWFFL-UHFFFAOYSA-N
XLogP1.34
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
CID 87052217
4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 91908949
7-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629452
7-(cyclopropylmethyl)-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261661
2-(2-bromoethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80671908
ethyl 1-(1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 20958581
N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 127245167
2-methyl-5-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-3-one
CID 110257196
N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 110247837
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990
5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124979504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The IUPAC name of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine (CID 87052218) is 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine is Cn1cnc(S(=O)(=O)N2CCCCC2c2nncn2CC2CC2)c1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The InChIKey is NBTPHYSESAWFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-19-9-14(16-10-19)24(22,23)21-7-3-2-4-13(21)15-18-17-11-20(15)8-12-5-6-12/h9-13H,2-8H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine has a molecular weight of 350.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 87052218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).