1-methylsulfonyl-4-thiophen-2-ylpiperidine

C10H15NO2S2 — CID 71786903

IUPAC1-methylsulfonyl-4-thiophen-2-ylpiperidine
SMILESCS(=O)(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C10H15NO2S2/c1-15(12,13)11-6-4-9(5-7-11)10-3-2-8-14-10/h2-3,8-9H,4-7H2,1H3
InChIKeyROUSEKWQTJYWPT-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.89
Rot. Bonds2

About 1-methylsulfonyl-4-thiophen-2-ylpiperidine

1-methylsulfonyl-4-thiophen-2-ylpiperidine (PubChem CID 71786903) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methylsulfonyl-4-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-thiophen-2-ylpiperidine
PubChem CID71786903
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name1-methylsulfonyl-4-thiophen-2-ylpiperidine
SMILESCS(=O)(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C10H15NO2S2/c1-15(12,13)11-6-4-9(5-7-11)10-3-2-8-14-10/h2-3,8-9H,4-7H2,1H3
InChIKeyROUSEKWQTJYWPT-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-thiophen-2-ylpiperidine?
The IUPAC name of 1-methylsulfonyl-4-thiophen-2-ylpiperidine (CID 71786903) is 1-methylsulfonyl-4-thiophen-2-ylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-4-thiophen-2-ylpiperidine?
The canonical SMILES for 1-methylsulfonyl-4-thiophen-2-ylpiperidine is CS(=O)(=O)N1CCC(c2cccs2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-thiophen-2-ylpiperidine?
The InChIKey is ROUSEKWQTJYWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-15(12,13)11-6-4-9(5-7-11)10-3-2-8-14-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-methylsulfonyl-4-thiophen-2-ylpiperidine?
1-methylsulfonyl-4-thiophen-2-ylpiperidine has a molecular weight of 245.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-thiophen-2-ylpiperidine is sourced from PubChem (CID 71786903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).