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

C7H15NOS — CID 112629441

IUPAC[1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCS)C1
InChIInChI=1S/C7H15NOS/c9-6-7-1-2-8(5-7)3-4-10/h7,9-10H,1-6H2
InChIKeyGJIZNDWODAHBOG-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.23
Rot. Bonds3

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

[1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol (PubChem CID 112629441) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol
PubChem CID112629441
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name[1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCS)C1
InChIInChI=1S/C7H15NOS/c9-6-7-1-2-8(5-7)3-4-10/h7,9-10H,1-6H2
InChIKeyGJIZNDWODAHBOG-UHFFFAOYSA-N
XLogP0.23
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.23
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

4-Pyrrolidin-1-yl-2-sulfanylbutan-1-ol
CID 88718008
4-(Hydroxymethyl)-1-(1-sulfanylethyl)pyrrolidin-3-ol
CID 130203945
[(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol
CID 134460596
(1-Methylsulfanylpyrrolidin-3-yl)methanol
CID 155123140
[(3R)-1-(1-methylsulfanylethyl)pyrrolidin-3-yl]methanol
CID 156299291
Ethane;[4-methyl-1-(2-sulfanylpropyl)pyrrolidin-3-yl]methanol
CID 172620408
(1-Methanidylpyrrolidin-3-yl)methanol
CID 59130930
[1-(2-Methylsulfanylethyl)pyrrolidin-3-yl]methanol
CID 64722378
[1-(2-Methyl-3-methylsulfanylpropyl)pyrrolidin-3-yl]methanol
CID 64866896
[1-(3-Methylsulfanylpropyl)pyrrolidin-3-yl]methanol
CID 64867331
[(3S)-1-methanidylpyrrolidin-3-yl]methanol
CID 88553486
1-[3-(Hydroxymethyl)pyrrolidin-1-yl]-2-sulfanylethanone
CID 112629401

Frequently Asked Questions

What is the IUPAC name of [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol (CID 112629441) is [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol is OCC1CCN(CCS)C1.
What is the InChIKey of [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol?
The InChIKey is GJIZNDWODAHBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c9-6-7-1-2-8(5-7)3-4-10/h7,9-10H,1-6H2.
What are the key properties of [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol?
[1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol has a molecular weight of 161.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-sulfanylethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).