1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine

C13H17N3O2S2 — CID 71807083

IUPAC1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cn1
InChIInChI=1S/C13H17N3O2S2/c1-15-9-13(8-14-15)20(17,18)16-5-2-11(3-6-16)12-4-7-19-10-12/h4,7-11H,2-3,5-6H2,1H3
InChIKeyWNVYSGMAFUDXLH-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.05
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine

1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine (PubChem CID 71807083) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine
PubChem CID71807083
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine
SMILESCn1cc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cn1
InChIInChI=1S/C13H17N3O2S2/c1-15-9-13(8-14-15)20(17,18)16-5-2-11(3-6-16)12-4-7-19-10-12/h4,7-11H,2-3,5-6H2,1H3
InChIKeyWNVYSGMAFUDXLH-UHFFFAOYSA-N
XLogP2.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine (CID 71807083) is 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine is Cn1cc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine?
The InChIKey is WNVYSGMAFUDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-15-9-13(8-14-15)20(17,18)16-5-2-11(3-6-16)12-4-7-19-10-12/h4,7-11H,2-3,5-6H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine?
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine has a molecular weight of 311.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine is sourced from PubChem (CID 71807083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).