2-cyclohexyl-1-ethylsulfonylpyrrolidine

C12H23NO2S — CID 61357039

IUPAC2-cyclohexyl-1-ethylsulfonylpyrrolidine
SMILESCCS(=O)(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-16(14,15)13-10-6-9-12(13)11-7-4-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyVDQTYWFNTSPGJI-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.38
Rot. Bonds3

About 2-cyclohexyl-1-ethylsulfonylpyrrolidine

2-cyclohexyl-1-ethylsulfonylpyrrolidine (PubChem CID 61357039) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-ethylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-cyclohexyl-1-ethylsulfonylpyrrolidine
PubChem CID61357039
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-cyclohexyl-1-ethylsulfonylpyrrolidine
SMILESCCS(=O)(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-16(14,15)13-10-6-9-12(13)11-7-4-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyVDQTYWFNTSPGJI-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-ethylsulfonylpyrrolidine?
The IUPAC name of 2-cyclohexyl-1-ethylsulfonylpyrrolidine (CID 61357039) is 2-cyclohexyl-1-ethylsulfonylpyrrolidine.
What is the SMILES notation for 2-cyclohexyl-1-ethylsulfonylpyrrolidine?
The canonical SMILES for 2-cyclohexyl-1-ethylsulfonylpyrrolidine is CCS(=O)(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-ethylsulfonylpyrrolidine?
The InChIKey is VDQTYWFNTSPGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-16(14,15)13-10-6-9-12(13)11-7-4-3-5-8-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-cyclohexyl-1-ethylsulfonylpyrrolidine?
2-cyclohexyl-1-ethylsulfonylpyrrolidine has a molecular weight of 245.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-ethylsulfonylpyrrolidine is sourced from PubChem (CID 61357039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).