2-methylsulfonyl-1-pyrrolidin-2-ylethanol

C7H15NO3S — CID 115019531

IUPAC2-methylsulfonyl-1-pyrrolidin-2-ylethanol
SMILESCS(=O)(=O)CC(O)C1CCCN1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)5-7(9)6-3-2-4-8-6/h6-9H,2-5H2,1H3
InChIKeyOMJADKVVRHOCAC-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.86
Rot. Bonds3

About 2-methylsulfonyl-1-pyrrolidin-2-ylethanol

2-methylsulfonyl-1-pyrrolidin-2-ylethanol (PubChem CID 115019531) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-methylsulfonyl-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-pyrrolidin-2-ylethanol
PubChem CID115019531
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-methylsulfonyl-1-pyrrolidin-2-ylethanol
SMILESCS(=O)(=O)CC(O)C1CCCN1
InChIInChI=1S/C7H15NO3S/c1-12(10,11)5-7(9)6-3-2-4-8-6/h6-9H,2-5H2,1H3
InChIKeyOMJADKVVRHOCAC-UHFFFAOYSA-N
XLogP-0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-pyrrolidin-2-ylethanol?
The IUPAC name of 2-methylsulfonyl-1-pyrrolidin-2-ylethanol (CID 115019531) is 2-methylsulfonyl-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 2-methylsulfonyl-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 2-methylsulfonyl-1-pyrrolidin-2-ylethanol is CS(=O)(=O)CC(O)C1CCCN1.
What is the InChIKey of 2-methylsulfonyl-1-pyrrolidin-2-ylethanol?
The InChIKey is OMJADKVVRHOCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12(10,11)5-7(9)6-3-2-4-8-6/h6-9H,2-5H2,1H3.
What are the key properties of 2-methylsulfonyl-1-pyrrolidin-2-ylethanol?
2-methylsulfonyl-1-pyrrolidin-2-ylethanol has a molecular weight of 193.27 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 115019531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).