4-ethyl-1-ethylsulfonylpyrrolidin-3-ol

C8H17NO3S — CID 130678496

IUPAC4-ethyl-1-ethylsulfonylpyrrolidin-3-ol
SMILESCCC1CN(S(=O)(=O)CC)CC1O
InChIInChI=1S/C8H17NO3S/c1-3-7-5-9(6-8(7)10)13(11,12)4-2/h7-8,10H,3-6H2,1-2H3
InChIKeyLPNGNXITARDDCY-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds3

About 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol

4-ethyl-1-ethylsulfonylpyrrolidin-3-ol (PubChem CID 130678496) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-ethyl-1-ethylsulfonylpyrrolidin-3-ol
PubChem CID130678496
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-ethyl-1-ethylsulfonylpyrrolidin-3-ol
SMILESCCC1CN(S(=O)(=O)CC)CC1O
InChIInChI=1S/C8H17NO3S/c1-3-7-5-9(6-8(7)10)13(11,12)4-2/h7-8,10H,3-6H2,1-2H3
InChIKeyLPNGNXITARDDCY-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-pentylsulfonylpyrrolidin-3-yl]methanol
CID 97306346
(3R,4R)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 160114144
(3S,4S)-4-fluoro-1-(2-methylpropylsulfonyl)pyrrolidin-3-ol
CID 161168448
1-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627562
1-(3-Fluoropropylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
CID 128160624
1-(Difluoromethylsulfonyl)-4-ethylpyrrolidin-3-ol
CID 130815618
(3R*,4R*)-3-isopropyl-1-(isopropylsulfonyl)-4-methyl-3-pyrrolidinol
CID 72882368
(4S,5R)-2,7-dimethyl-1,1-dioxo-1lambda6-thia-2,7-diazaspiro[4.4]nonan-4-ol
CID 132457162
1-Tert-butylsulfonyl-5-methylpyrrolidin-3-ol
CID 68353252
3-(7-Hydroxy-5-azaspiro[2.4]heptane-5-yl)propylmethanesulfonate
CID 86645607
2-[2-Hydroxybutyl-(2-hydroxy-3-methylpentyl)amino]ethanesulfonic acid
CID 89489043
1-Tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol
CID 115275347

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol?
The IUPAC name of 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol (CID 130678496) is 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol?
The canonical SMILES for 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol is CCC1CN(S(=O)(=O)CC)CC1O.
What is the InChIKey of 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol?
The InChIKey is LPNGNXITARDDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-7-5-9(6-8(7)10)13(11,12)4-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol?
4-ethyl-1-ethylsulfonylpyrrolidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-ethylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 130678496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).