3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol

C10H21NO3S — CID 65146779

IUPAC3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
SMILESCCS(=O)(=O)CCCC1(O)CCN(C)C1
InChIInChI=1S/C10H21NO3S/c1-3-15(13,14)8-4-5-10(12)6-7-11(2)9-10/h12H,3-9H2,1-2H3
InChIKeySFLJIXAREPUMJC-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.27
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol

3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol (PubChem CID 65146779) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
PubChem CID65146779
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
SMILESCCS(=O)(=O)CCCC1(O)CCN(C)C1
InChIInChI=1S/C10H21NO3S/c1-3-15(13,14)8-4-5-10(12)6-7-11(2)9-10/h12H,3-9H2,1-2H3
InChIKeySFLJIXAREPUMJC-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol (CID 65146779) is 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol is CCS(=O)(=O)CCCC1(O)CCN(C)C1.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol?
The InChIKey is SFLJIXAREPUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-15(13,14)8-4-5-10(12)6-7-11(2)9-10/h12H,3-9H2,1-2H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol?
3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol has a molecular weight of 235.35 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 65146779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).