[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol

C8H17NOS — CID 64722378

IUPAC[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol
SMILESCSCCN1CCC(CO)C1
InChIInChI=1S/C8H17NOS/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3
InChIKeyXLKAUTXWSMAUFG-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.66
Rot. Bonds4

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

[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol (PubChem CID 64722378) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol
PubChem CID64722378
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol
SMILESCSCCN1CCC(CO)C1
InChIInChI=1S/C8H17NOS/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3
InChIKeyXLKAUTXWSMAUFG-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanol
CID 116617465
(1-Isobutylpyrrolidin-3-yl)methanol
CID 17999086
(1-Propylpyrrolidin-3-yl)methanol
CID 24275424
(1-Butylpyrrolidin-3-yl)methanol
CID 24275426
[(3S)-1-propylpyrrolidin-3-yl]methanol
CID 42258679
[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
CID 42258701
[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
CID 42258703
Ethane;(1-methylpyrrolidin-3-yl)methanol
CID 91267134
1-Ethyl-4-methylsulfanylpyrrolidin-2-ol
CID 91281249
[1-(2-Sulfanylethyl)pyrrolidin-3-yl]methanol
CID 112629441
(2S)-1-(2-hydroxyethyl)-3-(3-hydroxy-2-methylpropyl)sulfanylpyrrolidin-2-ol
CID 122643737

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol (CID 64722378) is [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol is CSCCN1CCC(CO)C1.
What is the InChIKey of [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol?
The InChIKey is XLKAUTXWSMAUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3.
What are the key properties of [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol?
[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol has a molecular weight of 175.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64722378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).