(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine

C9H17NO2S — CID 96602898

IUPAC(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@H]1C1CCC1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)10-7-3-6-9(10)8-4-2-5-8/h8-9H,2-7H2,1H3/t9-/m0/s1
InChIKeyQURJTHKDQRBTON-VIFPVBQESA-N
MW203.31 g/mol
LogP1.21
Rot. Bonds2

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

(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine (PubChem CID 96602898) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine
PubChem CID96602898
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCC[C@H]1C1CCC1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)10-7-3-6-9(10)8-4-2-5-8/h8-9H,2-7H2,1H3/t9-/m0/s1
InChIKeyQURJTHKDQRBTON-VIFPVBQESA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine?
The IUPAC name of (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine (CID 96602898) is (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CCC[C@H]1C1CCC1.
What is the InChIKey of (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine?
The InChIKey is QURJTHKDQRBTON-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13(11,12)10-7-3-6-9(10)8-4-2-5-8/h8-9H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine?
(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine has a molecular weight of 203.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 96602898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).