2-cyclohexyl-1-propylsulfonylpyrrolidine

C13H25NO2S — CID 61384313

IUPAC2-cyclohexyl-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-2-11-17(15,16)14-10-6-9-13(14)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3
InChIKeyZXJFQQIWXHMTGC-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.77
Rot. Bonds4

About 2-cyclohexyl-1-propylsulfonylpyrrolidine

2-cyclohexyl-1-propylsulfonylpyrrolidine (PubChem CID 61384313) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-cyclohexyl-1-propylsulfonylpyrrolidine
PubChem CID61384313
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-cyclohexyl-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-2-11-17(15,16)14-10-6-9-13(14)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3
InChIKeyZXJFQQIWXHMTGC-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-N-methylethanamine
CID 54974113
1-(3-chloropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 43654484
methyl 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)propanoate
CID 66794420
2-(1-propylsulfonylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544242
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propylpropan-1-amine
CID 82752302
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-propan-2-ylbutan-1-amine
CID 102729039
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)propanoic acid
CID 65319025
(4aR,8aR)-1-(2-piperidin-2-ylethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726522
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-propylsulfonylpyrrolidine?
The IUPAC name of 2-cyclohexyl-1-propylsulfonylpyrrolidine (CID 61384313) is 2-cyclohexyl-1-propylsulfonylpyrrolidine.
What is the SMILES notation for 2-cyclohexyl-1-propylsulfonylpyrrolidine?
The canonical SMILES for 2-cyclohexyl-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-propylsulfonylpyrrolidine?
The InChIKey is ZXJFQQIWXHMTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-11-17(15,16)14-10-6-9-13(14)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-1-propylsulfonylpyrrolidine?
2-cyclohexyl-1-propylsulfonylpyrrolidine has a molecular weight of 259.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 61384313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).