2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol

C7H15NO3S — CID 99716099

IUPAC2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol
SMILESCS(=O)(=O)N1CC[C@H](CCO)C1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-7(6-8)3-5-9/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyZNODQXYEQDCKKW-SSDOTTSWSA-N
MW193.27 g/mol
LogP-0.35
Rot. Bonds3

About 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol

2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol (PubChem CID 99716099) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol
PubChem CID99716099
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol
SMILESCS(=O)(=O)N1CC[C@H](CCO)C1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-7(6-8)3-5-9/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyZNODQXYEQDCKKW-SSDOTTSWSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methanesulfonylpyrrolidin-3-yl)methanol
CID 62370439
2-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114799314
2-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744903
2-[(3R)-1-methylpyrrolidin-3-yl]ethyl methanesulfonate
CID 58057077
2-(1-Methylpyrrolidin-3-yl)ethyl methanesulfonate
CID 76680952
N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide
CID 88991768
2-(1-Methanesulfonylpyrrolidin-3-yl)ethan-1-ol
CID 77059138
1-(1-Methylsulfonylpyrrolidin-3-yl)ethanol
CID 84066335
2-(1-Methylsulfonylpyrrolidin-3-yl)propane-1,1-diol
CID 84068771
3-(1-Methanesulfonylpyrrolidin-3-yl)propan-1-ol
CID 84082247
2-[(3S)-1-methylsulfonylpyrrolidin-3-yl]ethanol
CID 99716100
(3-Methyl-1-methylsulfonylpyrrolidin-2-yl)methanol
CID 102786209

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol (CID 99716099) is 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol is CS(=O)(=O)N1CC[C@H](CCO)C1.
What is the InChIKey of 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is ZNODQXYEQDCKKW-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-7(6-8)3-5-9/h7,9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol?
2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 193.27 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 99716099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).