1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine

C15H23NO2S2 — CID 71786909

IUPAC1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine
SMILESO=S(=O)(C1CCCCC1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C15H23NO2S2/c17-20(18,14-5-2-1-3-6-14)16-10-8-13(9-11-16)15-7-4-12-19-15/h4,7,12-14H,1-3,5-6,8-11H2
InChIKeyQCENSYRIJOKCHN-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.59
Rot. Bonds3

About 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine

1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine (PubChem CID 71786909) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine
PubChem CID71786909
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC Name1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine
SMILESO=S(=O)(C1CCCCC1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C15H23NO2S2/c17-20(18,14-5-2-1-3-6-14)16-10-8-13(9-11-16)15-7-4-12-19-15/h4,7,12-14H,1-3,5-6,8-11H2
InChIKeyQCENSYRIJOKCHN-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine?
The IUPAC name of 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine (CID 71786909) is 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine.
What is the SMILES notation for 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine?
The canonical SMILES for 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine is O=S(=O)(C1CCCCC1)N1CCC(c2cccs2)CC1.
What is the InChIKey of 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine?
The InChIKey is QCENSYRIJOKCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c17-20(18,14-5-2-1-3-6-14)16-10-8-13(9-11-16)15-7-4-12-19-15/h4,7,12-14H,1-3,5-6,8-11H2.
What are the key properties of 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine?
1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine has a molecular weight of 313.49 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-4-thiophen-2-ylpiperidine is sourced from PubChem (CID 71786909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).