(1-sulfanylpyrrolidin-3-yl)methanol

C5H11NOS — CID 123188069

IUPAC(1-sulfanylpyrrolidin-3-yl)methanol
SMILESOCC1CCN(S)C1
InChIInChI=1S/C5H11NOS/c7-4-5-1-2-6(8)3-5/h5,7-8H,1-4H2
InChIKeyKJRMBDKKHDNXHG-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.15
Rot. Bonds1

About (1-sulfanylpyrrolidin-3-yl)methanol

(1-sulfanylpyrrolidin-3-yl)methanol (PubChem CID 123188069) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (1-sulfanylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-sulfanylpyrrolidin-3-yl)methanol
PubChem CID123188069
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(1-sulfanylpyrrolidin-3-yl)methanol
SMILESOCC1CCN(S)C1
InChIInChI=1S/C5H11NOS/c7-4-5-1-2-6(8)3-5/h5,7-8H,1-4H2
InChIKeyKJRMBDKKHDNXHG-UHFFFAOYSA-N
XLogP0.15
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.15
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-Methylpyrrolidin-3-yl)methanol
CID 295970
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
[(3S)-1-methylpyrrolidin-3-yl]methanol hydrochloride
CID 154814266
((3R)-1-methylpyrrolidin-3-yl)methanol hydrochloride
CID 155819587
(S)-(1-Methylpyrrolidin-3-YL)methanol
CID 38988801
[cis-4-Fluoro-1-methyl-pyrrolidin-3-yl]methanol
CID 105530050
((3R,4S)-4-Fluoro-1-methylpyrrolidin-3-yl)methanol
CID 105531136
((3S,4R)-4-Fluoro-1-methylpyrrolidin-3-yl)methanol
CID 147748171
rel-((3R,4R)-4-Fluoro-1-methylpyrrolidin-3-yl)methanol
CID 170903721
1-Fluoro-4-(hydroxymethyl)pyrrolidin-2-ol
CID 172680416
[1-(2-Fluoroethyl)pyrrolidin-3-yl]methanol
CID 80695796

Frequently Asked Questions

What is the IUPAC name of (1-sulfanylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-sulfanylpyrrolidin-3-yl)methanol (CID 123188069) is (1-sulfanylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-sulfanylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-sulfanylpyrrolidin-3-yl)methanol is OCC1CCN(S)C1.
What is the InChIKey of (1-sulfanylpyrrolidin-3-yl)methanol?
The InChIKey is KJRMBDKKHDNXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c7-4-5-1-2-6(8)3-5/h5,7-8H,1-4H2.
What are the key properties of (1-sulfanylpyrrolidin-3-yl)methanol?
(1-sulfanylpyrrolidin-3-yl)methanol has a molecular weight of 133.22 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-sulfanylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 123188069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).