1-cyclohexylsulfonyl-2-methylpyrrolidine

C11H21NO2S — CID 58733468

IUPAC1-cyclohexylsulfonyl-2-methylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-10-6-5-9-12(10)15(13,14)11-7-3-2-4-8-11/h10-11H,2-9H2,1H3
InChIKeyCRWQZGVHFUNPQB-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.13
Rot. Bonds2

About 1-cyclohexylsulfonyl-2-methylpyrrolidine

1-cyclohexylsulfonyl-2-methylpyrrolidine (PubChem CID 58733468) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-2-methylpyrrolidine
PubChem CID58733468
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-cyclohexylsulfonyl-2-methylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-10-6-5-9-12(10)15(13,14)11-7-3-2-4-8-11/h10-11H,2-9H2,1H3
InChIKeyCRWQZGVHFUNPQB-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-2-methylpyrrolidine?
The IUPAC name of 1-cyclohexylsulfonyl-2-methylpyrrolidine (CID 58733468) is 1-cyclohexylsulfonyl-2-methylpyrrolidine.
What is the SMILES notation for 1-cyclohexylsulfonyl-2-methylpyrrolidine?
The canonical SMILES for 1-cyclohexylsulfonyl-2-methylpyrrolidine is CC1CCCN1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonyl-2-methylpyrrolidine?
The InChIKey is CRWQZGVHFUNPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10-6-5-9-12(10)15(13,14)11-7-3-2-4-8-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-cyclohexylsulfonyl-2-methylpyrrolidine?
1-cyclohexylsulfonyl-2-methylpyrrolidine has a molecular weight of 231.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-2-methylpyrrolidine is sourced from PubChem (CID 58733468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).