3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol

C9H19NO3S — CID 65145628

IUPAC3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)CCCC1(O)CCNC1
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)7-3-4-9(11)5-6-10-8-9/h10-11H,2-8H2,1H3
InChIKeyWPEMUUBSVLNINY-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.07
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol

3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol (PubChem CID 65145628) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
PubChem CID65145628
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
SMILESCCS(=O)(=O)CCCC1(O)CCNC1
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)7-3-4-9(11)5-6-10-8-9/h10-11H,2-8H2,1H3
InChIKeyWPEMUUBSVLNINY-UHFFFAOYSA-N
XLogP-0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylsulfonylethyl)piperidin-3-ol
CID 65145784
3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
CID 65146779
3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol
CID 79949924
1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
CID 65151467
1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
CID 66024875
3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine
CID 112564275
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449692
1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol
CID 65147372
2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
CID 65149543
3-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 86277019
3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
CID 46941652
4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol
CID 106820916

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol?
The IUPAC name of 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol (CID 65145628) is 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol is CCS(=O)(=O)CCCC1(O)CCNC1.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol?
The InChIKey is WPEMUUBSVLNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-14(12,13)7-3-4-9(11)5-6-10-8-9/h10-11H,2-8H2,1H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol?
3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol has a molecular weight of 221.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 65145628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).