2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one

C15H26N2O3S — CID 79539733

IUPAC2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H26N2O3S/c18-15-9-3-2-7-13(15)14-8-6-12-17(14)21(19,20)16-10-4-1-5-11-16/h13-14H,1-12H2
InChIKeyBHDWQTZXPOKKTA-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.94
Rot. Bonds3

About 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one

2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one (PubChem CID 79539733) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
PubChem CID79539733
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H26N2O3S/c18-15-9-3-2-7-13(15)14-8-6-12-17(14)21(19,20)16-10-4-1-5-11-16/h13-14H,1-12H2
InChIKeyBHDWQTZXPOKKTA-UHFFFAOYSA-N
XLogP1.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylsulfonylpyrrolidin-2-yl)cyclohexan-1-one
CID 79546272
2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 104626564
2-(1-cyclopentylsulfonylpiperidin-2-yl)cyclopentan-1-one
CID 105361187
N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 127864106
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79545751
1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977886
2-[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 136531002
2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79535712
2-(1-propylsulfonylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544242
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 79539732
2-(1-cyclohexylpiperidin-2-yl)cyclopentan-1-one
CID 79545397
1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60978162

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one (CID 79539733) is 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one is O=C1CCCCC1C1CCCN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one?
The InChIKey is BHDWQTZXPOKKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c18-15-9-3-2-7-13(15)14-8-6-12-17(14)21(19,20)16-10-4-1-5-11-16/h13-14H,1-12H2.
What are the key properties of 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one?
2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one has a molecular weight of 314.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 79539733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).