2-(1-methylsulfonylpyrrolidin-3-yl)ethanol

C7H15NO3S — CID 77059138

IUPAC2-(1-methylsulfonylpyrrolidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-7(6-8)3-5-9/h7,9H,2-6H2,1H3
InChIKeyZNODQXYEQDCKKW-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.35
Rot. Bonds3

About 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol

2-(1-methylsulfonylpyrrolidin-3-yl)ethanol (PubChem CID 77059138) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylsulfonylpyrrolidin-3-yl)ethanol
PubChem CID77059138
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-(1-methylsulfonylpyrrolidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)8-4-2-7(6-8)3-5-9/h7,9H,2-6H2,1H3
InChIKeyZNODQXYEQDCKKW-UHFFFAOYSA-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

CID 62370439
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CID 115744903
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CID 58057077
CID 58057077
CID 76680952
CID 76680952
CID 88991768
CID 88991768
CID 84066335
CID 84066335
CID 84068771
CID 84068771
CID 84082247
CID 84082247
CID 99716099
CID 99716099
CID 99716100
CID 99716100
CID 102786209
CID 102786209

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol (CID 77059138) is 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol is CS(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol?
The InChIKey is ZNODQXYEQDCKKW-UHFFFAOYSA-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.
What are the key properties of 2-(1-methylsulfonylpyrrolidin-3-yl)ethanol?
2-(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-(1-methylsulfonylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 77059138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).