3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine

C16H21N5O2S — CID 87052217

IUPAC3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C16H21N5O2S/c22-24(23,14-4-3-8-17-10-14)21-9-2-1-5-15(21)16-19-18-12-20(16)11-13-6-7-13/h3-4,8,10,12-13,15H,1-2,5-7,9,11H2
InChIKeyDMPLUKASGPRUQQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.00
Rot. Bonds5

About 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine

3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine (PubChem CID 87052217) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
PubChem CID87052217
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C16H21N5O2S/c22-24(23,14-4-3-8-17-10-14)21-9-2-1-5-15(21)16-19-18-12-20(16)11-13-6-7-13/h3-4,8,10,12-13,15H,1-2,5-7,9,11H2
InChIKeyDMPLUKASGPRUQQ-UHFFFAOYSA-N
XLogP2.00
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 87052218
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
CID 95828932
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone
CID 87052186
2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 87052122
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 87052108
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 87052153
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
1-[(2S)-2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99768088

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine (CID 87052217) is 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine?
The InChIKey is DMPLUKASGPRUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c22-24(23,14-4-3-8-17-10-14)21-9-2-1-5-15(21)16-19-18-12-20(16)11-13-6-7-13/h3-4,8,10,12-13,15H,1-2,5-7,9,11H2.
What are the key properties of 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine?
3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine has a molecular weight of 347.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 87052217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).