[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol

C8H17NOS — CID 102789795

IUPAC[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCS)C1CO
InChIInChI=1S/C8H17NOS/c1-7-2-3-9(4-5-11)8(7)6-10/h7-8,10-11H,2-6H2,1H3
InChIKeyZQPHNGOKZZLRCB-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.62
Rot. Bonds3

About [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol (PubChem CID 102789795) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
PubChem CID102789795
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCS)C1CO
InChIInChI=1S/C8H17NOS/c1-7-2-3-9(4-5-11)8(7)6-10/h7-8,10-11H,2-6H2,1H3
InChIKeyZQPHNGOKZZLRCB-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[1-(2-Fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
[1-(3-Fluoropropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102788449
[3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanol
CID 102788801
[1-(2-Methyl-2-sulfanylpropyl)pyrrolidin-2-yl]methanol
CID 18187972
(1-Methyl-4-sulfanylpyrrolidin-2-yl)methanol;hydrochloride
CID 19907169
(1-Methyl-4-sulfanylpyrrolidin-2-yl)methanol
CID 19907170
[(2S,4S)-1-methyl-4-sulfanylpyrrolidin-2-yl]methanol
CID 53946507
(4-Methyl-1-propan-2-ylpyrrolidin-2-yl)methanol
CID 58584540
(1,3-Dimethylpyrrolidin-2-yl)methanol
CID 58841069
[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methanol
CID 59084801
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanol
CID 59084919
[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 59818491

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol (CID 102789795) is [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol is CC1CCN(CCS)C1CO.
What is the InChIKey of [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is ZQPHNGOKZZLRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7-2-3-9(4-5-11)8(7)6-10/h7-8,10-11H,2-6H2,1H3.
What are the key properties of [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 175.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).