4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine

C17H18N4O2S2 — CID 46984532

IUPAC4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(n2cc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C17H18N4O2S2/c22-25(23,17-7-4-12-24-17)20-10-8-15(9-11-20)21-13-16(18-19-21)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2
InChIKeyZFALSYPCVLOEQE-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.03
Rot. Bonds4

About 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine

4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine (PubChem CID 46984532) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine
PubChem CID46984532
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(n2cc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C17H18N4O2S2/c22-25(23,17-7-4-12-24-17)20-10-8-15(9-11-20)21-13-16(18-19-21)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2
InChIKeyZFALSYPCVLOEQE-UHFFFAOYSA-N
XLogP3.03
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine?
The IUPAC name of 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine (CID 46984532) is 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine?
The canonical SMILES for 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine is O=S(=O)(c1cccs1)N1CCC(n2cc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine?
The InChIKey is ZFALSYPCVLOEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c22-25(23,17-7-4-12-24-17)20-10-8-15(9-11-20)21-13-16(18-19-21)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2.
What are the key properties of 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine?
4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine has a molecular weight of 374.49 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyltriazol-1-yl)-1-thiophen-2-ylsulfonylpiperidine is sourced from PubChem (CID 46984532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).