1-sulfanylpyrrolidine;hydrochloride

C4H10ClNS — CID 19981903

IUPAC1-sulfanylpyrrolidine;hydrochloride
SMILESCl.SN1CCCC1
InChIInChI=1S/C4H9NS.ClH/c6-5-3-1-2-4-5;/h6H,1-4H2;1H
InChIKeyOZURLKQTFLFLIM-UHFFFAOYSA-N
MW139.65 g/mol
LogP1.35
Rot. Bonds

About 1-sulfanylpyrrolidine;hydrochloride

1-sulfanylpyrrolidine;hydrochloride (PubChem CID 19981903) has the molecular formula C4H10ClNS and a molecular weight of 139.65 g/mol. Its IUPAC name is 1-sulfanylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-sulfanylpyrrolidine;hydrochloride
PubChem CID19981903
Molecular FormulaC4H10ClNS
Molecular Weight139.65 g/mol
Exact Mass139.02
IUPAC Name1-sulfanylpyrrolidine;hydrochloride
SMILESCl.SN1CCCC1
InChIInChI=1S/C4H9NS.ClH/c6-5-3-1-2-4-5;/h6H,1-4H2;1H
InChIKeyOZURLKQTFLFLIM-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.65
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanylpyrrolidine;hydrochloride?
The IUPAC name of 1-sulfanylpyrrolidine;hydrochloride (CID 19981903) is 1-sulfanylpyrrolidine;hydrochloride.
What is the SMILES notation for 1-sulfanylpyrrolidine;hydrochloride?
The canonical SMILES for 1-sulfanylpyrrolidine;hydrochloride is Cl.SN1CCCC1.
What is the InChIKey of 1-sulfanylpyrrolidine;hydrochloride?
The InChIKey is OZURLKQTFLFLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS.ClH/c6-5-3-1-2-4-5;/h6H,1-4H2;1H.
What are the key properties of 1-sulfanylpyrrolidine;hydrochloride?
1-sulfanylpyrrolidine;hydrochloride has a molecular weight of 139.65 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpyrrolidine;hydrochloride is sourced from PubChem (CID 19981903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).