2-(3-methylsulfanylpyrrolidin-1-yl)ethanol

C7H15NOS — CID 131031599

IUPAC2-(3-methylsulfanylpyrrolidin-1-yl)ethanol
SMILESCSC1CCN(CCO)C1
InChIInChI=1S/C7H15NOS/c1-10-7-2-3-8(6-7)4-5-9/h7,9H,2-6H2,1H3
InChIKeySAFJNIIAJIETAZ-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.42
Rot. Bonds3

About 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol

2-(3-methylsulfanylpyrrolidin-1-yl)ethanol (PubChem CID 131031599) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylsulfanylpyrrolidin-1-yl)ethanol
PubChem CID131031599
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-(3-methylsulfanylpyrrolidin-1-yl)ethanol
SMILESCSC1CCN(CCO)C1
InChIInChI=1S/C7H15NOS/c1-10-7-2-3-8(6-7)4-5-9/h7,9H,2-6H2,1H3
InChIKeySAFJNIIAJIETAZ-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-methylsulfanylpyrrolidin-1-yl)ethanamine
CID 130757506
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
2-(3-methylsulfanylpiperidin-1-yl)ethanamine
CID 130909559
(E)-5-(3-methylsulfanylpyrrolidin-1-yl)pent-3-en-2-one
CID 146303123
1-(2-bromoethyl)-4-methylsulfanylpiperidine
CID 126974921
2-(3-aminopyrrolidin-1-yl)ethanol;ethane;molecular hydrogen
CID 153346561
2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol
CID 126993434
2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol
CID 153330305
2-(4-amino-3-ethylpiperidin-1-yl)ethanol
CID 81459105
2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol
CID 121215376
2-[3-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 121201448

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol?
The IUPAC name of 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol (CID 131031599) is 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol is CSC1CCN(CCO)C1.
What is the InChIKey of 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol?
The InChIKey is SAFJNIIAJIETAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-10-7-2-3-8(6-7)4-5-9/h7,9H,2-6H2,1H3.
What are the key properties of 2-(3-methylsulfanylpyrrolidin-1-yl)ethanol?
2-(3-methylsulfanylpyrrolidin-1-yl)ethanol 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-(3-methylsulfanylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 131031599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).