1-(2-ethylsulfonylethyl)pyrrolidin-3-ol

C8H17NO3S — CID 62916486

IUPAC1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)CCN1CCC(O)C1
InChIInChI=1S/C8H17NO3S/c1-2-13(11,12)6-5-9-4-3-8(10)7-9/h8,10H,2-7H2,1H3
InChIKeyMDDCCHMZYABRNO-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.51
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol

1-(2-ethylsulfonylethyl)pyrrolidin-3-ol (PubChem CID 62916486) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
PubChem CID62916486
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(2-ethylsulfonylethyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)CCN1CCC(O)C1
InChIInChI=1S/C8H17NO3S/c1-2-13(11,12)6-5-9-4-3-8(10)7-9/h8,10H,2-7H2,1H3
InChIKeyMDDCCHMZYABRNO-UHFFFAOYSA-N
XLogP-0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
CID 59216610
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606
3-bromo-4-methyl-1-(2-propylsulfonylethyl)piperidine
CID 106731474
1-[3-(propylamino)propyl]pyrrolidin-3-ol
CID 62942273
3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
CID 106731132

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol (CID 62916486) is 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol is CCS(=O)(=O)CCN1CCC(O)C1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol?
The InChIKey is MDDCCHMZYABRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-13(11,12)6-5-9-4-3-8(10)7-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol?
1-(2-ethylsulfonylethyl)pyrrolidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 62916486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).