2-(1-methylpyrrolidin-3-yl)sulfanylethanol

C7H15NOS — CID 116852728

IUPAC2-(1-methylpyrrolidin-3-yl)sulfanylethanol
SMILESCN1CCC(SCCO)C1
InChIInChI=1S/C7H15NOS/c1-8-3-2-7(6-8)10-5-4-9/h7,9H,2-6H2,1H3
InChIKeyGDFYXWIDSGSJSK-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.42
Rot. Bonds3

About 2-(1-methylpyrrolidin-3-yl)sulfanylethanol

2-(1-methylpyrrolidin-3-yl)sulfanylethanol (PubChem CID 116852728) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)sulfanylethanol
PubChem CID116852728
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-(1-methylpyrrolidin-3-yl)sulfanylethanol
SMILESCN1CCC(SCCO)C1
InChIInChI=1S/C7H15NOS/c1-8-3-2-7(6-8)10-5-4-9/h7,9H,2-6H2,1H3
InChIKeyGDFYXWIDSGSJSK-UHFFFAOYSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(Dimethylamino)propylsulfanyl]ethanol
CID 20756420
2-(2-Pyrrolidin-1-ylethylsulfanyl)ethanol
CID 43393655
1-(1,3-Thiazolidin-3-yl)ethanol
CID 89013400
1-Methyl-3-methylsulfanylpyrrolidine-2,5-diol
CID 89087535
3-[2-(3-Sulfanylpyrrolidin-1-yl)ethylsulfanyl]propan-1-ol
CID 89196642
1-(3-Ethyl-4-hydroxy-5-methyl-1,3-thiazolidin-2-yl)-2-sulfanylpropane-1-thione
CID 90737425
1-Ethyl-4-methylsulfanylpyrrolidin-2-ol
CID 91281249
1-(3-Methyl-1,3-thiazolidin-2-yl)propan-1-ol
CID 121305438
(1-Ethylpyrrolidin-3-yl)sulfanylmethanol
CID 123713213
1-(1,3-Thiazolidin-3-yl)propan-1-ol
CID 123722634
(3-Methylsulfanylpyrrolidin-1-yl)methanol
CID 150511123
1-(2-Methyl-1,3-thiazolidin-3-yl)ethanol
CID 153684583

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)sulfanylethanol?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)sulfanylethanol (CID 116852728) is 2-(1-methylpyrrolidin-3-yl)sulfanylethanol.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)sulfanylethanol?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)sulfanylethanol is CN1CCC(SCCO)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)sulfanylethanol?
The InChIKey is GDFYXWIDSGSJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8-3-2-7(6-8)10-5-4-9/h7,9H,2-6H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)sulfanylethanol?
2-(1-methylpyrrolidin-3-yl)sulfanylethanol has a molecular weight of 161.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)sulfanylethanol is sourced from PubChem (CID 116852728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).