4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine

C17H22N4O2S — CID 91904957

IUPAC4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine
SMILESCc1cccc(S(=O)(=O)N2CCC(n3cnnc3C3CC3)CC2)c1
InChIInChI=1S/C17H22N4O2S/c1-13-3-2-4-16(11-13)24(22,23)20-9-7-15(8-10-20)21-12-18-19-17(21)14-5-6-14/h2-4,11-12,14-15H,5-10H2,1H3
InChIKeyKSBSKWYYBLFFMV-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.49
Rot. Bonds4

About 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine

4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine (PubChem CID 91904957) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine
PubChem CID91904957
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine
SMILESCc1cccc(S(=O)(=O)N2CCC(n3cnnc3C3CC3)CC2)c1
InChIInChI=1S/C17H22N4O2S/c1-13-3-2-4-16(11-13)24(22,23)20-9-7-15(8-10-20)21-12-18-19-17(21)14-5-6-14/h2-4,11-12,14-15H,5-10H2,1H3
InChIKeyKSBSKWYYBLFFMV-UHFFFAOYSA-N
XLogP2.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine (CID 91904957) is 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine is Cc1cccc(S(=O)(=O)N2CCC(n3cnnc3C3CC3)CC2)c1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine?
The InChIKey is KSBSKWYYBLFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-3-2-4-16(11-13)24(22,23)20-9-7-15(8-10-20)21-12-18-19-17(21)14-5-6-14/h2-4,11-12,14-15H,5-10H2,1H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine?
4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine has a molecular weight of 346.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 91904957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).