1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one

C12H21NO3S — CID 115275106

IUPAC1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H21NO3S/c1-12(2)11(14)8-9-13(12)17(15,16)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyQAWVEGJAPHDCQE-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.70
Rot. Bonds2

About 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one

1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one (PubChem CID 115275106) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one
PubChem CID115275106
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H21NO3S/c1-12(2)11(14)8-9-13(12)17(15,16)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyQAWVEGJAPHDCQE-UHFFFAOYSA-N
XLogP1.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one?
The IUPAC name of 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one (CID 115275106) is 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one.
What is the SMILES notation for 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one?
The canonical SMILES for 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one is CC1(C)C(=O)CCN1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one?
The InChIKey is QAWVEGJAPHDCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-12(2)11(14)8-9-13(12)17(15,16)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one?
1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one has a molecular weight of 259.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-2,2-dimethylpyrrolidin-3-one is sourced from PubChem (CID 115275106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).