4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine

C16H27N5O2S — CID 28697466

IUPAC4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESO=S(=O)(N1CCCC1)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C16H27N5O2S/c22-24(23,19-9-3-4-10-19)20-11-7-15(8-12-20)21-13-16(17-18-21)14-5-1-2-6-14/h13-15H,1-12H2
InChIKeySAYYFMRKIQNRST-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.91
Rot. Bonds4

About 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine

4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine (PubChem CID 28697466) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
PubChem CID28697466
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESO=S(=O)(N1CCCC1)N1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C16H27N5O2S/c22-24(23,19-9-3-4-10-19)20-11-7-15(8-12-20)21-13-16(17-18-21)14-5-1-2-6-14/h13-15H,1-12H2
InChIKeySAYYFMRKIQNRST-UHFFFAOYSA-N
XLogP1.91
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(Cyclohexylmethyl)triazol-1-yl]propyl]piperidine
CID 51354871
4-(4-Cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine
CID 31075005
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-ethylbutyl)piperidine
CID 46989658
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-methylpentyl)piperidine
CID 46992535
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46996926
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine
CID 46989896
1-butyl-3-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]piperidine
CID 46991110
3-(4-Propan-2-yltriazol-1-yl)-8-sulfanyl-8-azabicyclo[3.2.1]octane
CID 91121246
1-Methyl-4-[5-(4-propan-2-yltriazol-1-yl)hexan-2-yl]triazole
CID 135199992
1-Propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole
CID 139308688
3-(1-Ethyltriazol-4-yl)-1-azabicyclo[2.2.1]heptane
CID 141558596
1,4-Dicyclopentyltriazole
CID 176322954

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine (CID 28697466) is 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine.
What is the SMILES notation for 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The canonical SMILES for 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine is O=S(=O)(N1CCCC1)N1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The InChIKey is SAYYFMRKIQNRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c22-24(23,19-9-3-4-10-19)20-11-7-15(8-12-20)21-13-16(17-18-21)14-5-1-2-6-14/h13-15H,1-12H2.
What are the key properties of 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine?
4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine has a molecular weight of 353.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyltriazol-1-yl)-1-pyrrolidin-1-ylsulfonylpiperidine is sourced from PubChem (CID 28697466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).