(3-sulfanylpyrrolidin-1-yl)methanol

C5H11NOS — CID 87836317

IUPAC(3-sulfanylpyrrolidin-1-yl)methanol
SMILESOCN1CCC(S)C1
InChIInChI=1S/C5H11NOS/c7-4-6-2-1-5(8)3-6/h5,7-8H,1-4H2
InChIKeyCKACSXRKAAZEHN-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.06
Rot. Bonds1

About (3-sulfanylpyrrolidin-1-yl)methanol

(3-sulfanylpyrrolidin-1-yl)methanol (PubChem CID 87836317) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (3-sulfanylpyrrolidin-1-yl)methanol.

Molecular Properties

Compound Name(3-sulfanylpyrrolidin-1-yl)methanol
PubChem CID87836317
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(3-sulfanylpyrrolidin-1-yl)methanol
SMILESOCN1CCC(S)C1
InChIInChI=1S/C5H11NOS/c7-4-6-2-1-5(8)3-6/h5,7-8H,1-4H2
InChIKeyCKACSXRKAAZEHN-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
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

2-(3-Sulfanylpyrrolidin-1-yl)ethanol
CID 17762155
(1-Ethylpyrrolidin-3-yl)sulfanylmethanol
CID 123713213
2-Pyrrolidin-1-yl-2-sulfanylethanol
CID 143553486
Pyrrolidin-1-yl(sulfanyl)methanol
CID 148440785
(3-Methylsulfanylpyrrolidin-1-yl)methanol
CID 150511123
1-(Hydroxymethyl)pyrrolidine-2-thione
CID 154122654

Frequently Asked Questions

What is the IUPAC name of (3-sulfanylpyrrolidin-1-yl)methanol?
The IUPAC name of (3-sulfanylpyrrolidin-1-yl)methanol (CID 87836317) is (3-sulfanylpyrrolidin-1-yl)methanol.
What is the SMILES notation for (3-sulfanylpyrrolidin-1-yl)methanol?
The canonical SMILES for (3-sulfanylpyrrolidin-1-yl)methanol is OCN1CCC(S)C1.
What is the InChIKey of (3-sulfanylpyrrolidin-1-yl)methanol?
The InChIKey is CKACSXRKAAZEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c7-4-6-2-1-5(8)3-6/h5,7-8H,1-4H2.
What are the key properties of (3-sulfanylpyrrolidin-1-yl)methanol?
(3-sulfanylpyrrolidin-1-yl)methanol has a molecular weight of 133.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-sulfanylpyrrolidin-1-yl)methanol is sourced from PubChem (CID 87836317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).