(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine

C11H21NO2S — CID 95358786

IUPAC(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@H]1C1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-15(13,14)12-9-5-8-11(12)10-6-3-2-4-7-10/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyTVFVNWYNAPIKLB-NSHDSACASA-N
MW231.36 g/mol
LogP1.99
Rot. Bonds2

About (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine

(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine (PubChem CID 95358786) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
PubChem CID95358786
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@H]1C1CCCCC1
InChIInChI=1S/C11H21NO2S/c1-15(13,14)12-9-5-8-11(12)10-6-3-2-4-7-10/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyTVFVNWYNAPIKLB-NSHDSACASA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine?
The IUPAC name of (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine (CID 95358786) is (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CCC[C@H]1C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine?
The InChIKey is TVFVNWYNAPIKLB-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15(13,14)12-9-5-8-11(12)10-6-3-2-4-7-10/h10-11H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine?
(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine has a molecular weight of 231.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 95358786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).