3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol

C10H21NO3S — CID 62467255

IUPAC3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol
SMILESCS(=O)(=O)CCN1CCCC1CCCO
InChIInChI=1S/C10H21NO3S/c1-15(13,14)9-7-11-6-2-4-10(11)5-3-8-12/h10,12H,2-9H2,1H3
InChIKeyFDICAXQIYFNEPB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.27
Rot. Bonds6

About 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467255) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62467255
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol
SMILESCS(=O)(=O)CCN1CCCC1CCCO
InChIInChI=1S/C10H21NO3S/c1-15(13,14)9-7-11-6-2-4-10(11)5-3-8-12/h10,12H,2-9H2,1H3
InChIKeyFDICAXQIYFNEPB-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 83060125
3-[1-(3-Methoxypropylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 55172113
3-[1-(3-Methylbutylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 55260341
2-[1-(3-Methylsulfonylpropyl)piperidin-2-yl]ethanol
CID 60240488
2-[1-(2-Methylsulfonylethyl)piperidin-2-yl]ethanol
CID 60585125
[1-(2-Methylsulfonylethyl)pyrrolidin-2-yl]methanol
CID 62013739
2-[1-(2-Ethylsulfonylethyl)piperidin-2-yl]ethanol
CID 62020828
2-[1-(1,1-Dioxothiolan-3-yl)piperidin-2-yl]ethanol
CID 62021018
3-(1-Propylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62466694
3-(1-Propan-2-ylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62466870
3-(1-Butylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62466873
3-(1-Ethylsulfonylpyrrolidin-2-yl)propan-1-ol
CID 62467048

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol (CID 62467255) is 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol is CS(=O)(=O)CCN1CCCC1CCCO.
What is the InChIKey of 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is FDICAXQIYFNEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-15(13,14)9-7-11-6-2-4-10(11)5-3-8-12/h10,12H,2-9H2,1H3.
What are the key properties of 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).