1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine

C16H20N4O2S — CID 91904971

IUPAC1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
SMILESO=S(=O)(C1CC1)N1CCC(n2cnnc2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O2S/c21-23(22,15-6-7-15)19-10-8-14(9-11-19)20-12-17-18-16(20)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2
InChIKeyMADFMGVMXHULJR-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.07
Rot. Bonds4

About 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine

1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine (PubChem CID 91904971) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
PubChem CID91904971
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine
SMILESO=S(=O)(C1CC1)N1CCC(n2cnnc2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O2S/c21-23(22,15-6-7-15)19-10-8-14(9-11-19)20-12-17-18-16(20)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2
InChIKeyMADFMGVMXHULJR-UHFFFAOYSA-N
XLogP2.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Cyclopropyl-4H-1,2,4-triazol-4-YL)-1-(5-fluoro-2-methylbenzenesulfonyl)piperidine
CID 91904979
1-[4-(4-Ethyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-benzenesulfonyl]-piperidine
CID 1173404
1-[[3-Methyl-5-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]-4-methylsulfonylpiperazine
CID 53549998
4-(3-Cyclopropyl-4H-1,2,4-triazol-4-YL)-1-(3-methylbenzenesulfonyl)piperidine
CID 91904957
4-(3-Cyclopropyl-4H-1,2,4-triazol-4-YL)-1-[4-(trifluoromethyl)benzenesulfonyl]piperidine
CID 91904980
4-(3-Cyclopropyl-4H-1,2,4-triazol-4-YL)-1-[3-(trifluoromethyl)benzenesulfonyl]piperidine
CID 91904987
4-(3-Ethyl-4H-1,2,4-triazol-4-YL)-1-(2-methylbenzenesulfonyl)piperidine
CID 91905018
1-(4-Fluoro-3-methylbenzenesulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-YL)piperidine
CID 91905033
1-(3-Methylbenzenesulfonyl)-4-[3-(propan-2-YL)-4H-1,2,4-triazol-4-YL]piperidine
CID 91905103
1-[(2-Fluorophenyl)methanesulfonyl]-4-[3-(propan-2-YL)-4H-1,2,4-triazol-4-YL]piperidine
CID 91914726
14-(4-Fluorophenyl)-8-methylsulfonyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene
CID 110201182
1-(4-Fluorobenzenesulfonyl)-4-(3-phenyl-4H-1,2,4-triazol-4-YL)piperidine
CID 124041257

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine (CID 91904971) is 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine is O=S(=O)(C1CC1)N1CCC(n2cnnc2-c2ccccc2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is MADFMGVMXHULJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-23(22,15-6-7-15)19-10-8-14(9-11-19)20-12-17-18-16(20)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2.
What are the key properties of 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine?
1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 332.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-(3-phenyl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 91904971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).