4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol

C9H17NO2S — CID 63704237

IUPAC4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol
SMILESOC1CNCC1SC1CCOCC1
InChIInChI=1S/C9H17NO2S/c11-8-5-10-6-9(8)13-7-1-3-12-4-2-7/h7-11H,1-6H2
InChIKeyHOPOQZCJGXTWDK-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.23
Rot. Bonds2

About 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol

4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol (PubChem CID 63704237) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol
PubChem CID63704237
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol
SMILESOC1CNCC1SC1CCOCC1
InChIInChI=1S/C9H17NO2S/c11-8-5-10-6-9(8)13-7-1-3-12-4-2-7/h7-11H,1-6H2
InChIKeyHOPOQZCJGXTWDK-UHFFFAOYSA-N
XLogP0.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-5-[ethoxy(ethylsulfanyl)methyl]pyrrolidin-3-ol
CID 53844214
(3S,4S)-4-pentylsulfanylpyrrolidin-3-ol
CID 70597835
4-Pentylsulfanylpyrrolidin-3-ol
CID 70597836
(3R,4R)-4-pentylsulfanylpyrrolidin-3-ol
CID 70597837
(4S)-4-(4-hydroxybutylsulfanylmethyl)pyrrolidin-3-ol
CID 118252721
4-(Oxan-4-ylamino)-1,1-dioxothiolan-3-ol
CID 60884877
1-(Methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol
CID 62994837
1-(Oxan-4-ylsulfanyl)-3-(propan-2-ylamino)propan-2-ol
CID 62994839
1-(Oxan-4-ylsulfanyl)-3-(propylamino)propan-2-ol
CID 62994840
1-(Ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol
CID 62995006
4-Butan-2-ylsulfanylpyrrolidin-3-ol
CID 63703438
4-(2-Methoxyethylsulfanyl)pyrrolidin-3-ol
CID 63704490

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol?
The IUPAC name of 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol (CID 63704237) is 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol is OC1CNCC1SC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol?
The InChIKey is HOPOQZCJGXTWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-8-5-10-6-9(8)13-7-1-3-12-4-2-7/h7-11H,1-6H2.
What are the key properties of 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol?
4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol has a molecular weight of 203.31 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanyl)pyrrolidin-3-ol is sourced from PubChem (CID 63704237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).