2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine

C13H25NO2S — CID 61357038

IUPAC2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-11(2)17(15,16)14-10-6-9-13(14)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyCXTYEEJUPKGMMO-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.77
Rot. Bonds3

About 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine

2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 61357038) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine
PubChem CID61357038
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-11(2)17(15,16)14-10-6-9-13(14)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyCXTYEEJUPKGMMO-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine (CID 61357038) is 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is CXTYEEJUPKGMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-11(2)17(15,16)14-10-6-9-13(14)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine?
2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 259.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 61357038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).