1-sulfanylpyrrolidine

C4H9NS — CID 19981904

IUPAC1-sulfanylpyrrolidine
SMILESSN1CCCC1
InChIInChI=1S/C4H9NS/c6-5-3-1-2-4-5/h6H,1-4H2
InChIKeyLVGIUOZGDVZIMK-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.93
Rot. Bonds

About 1-sulfanylpyrrolidine

1-sulfanylpyrrolidine (PubChem CID 19981904) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 1-sulfanylpyrrolidine.

Molecular Properties

Compound Name1-sulfanylpyrrolidine
PubChem CID19981904
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name1-sulfanylpyrrolidine
SMILESSN1CCCC1
InChIInChI=1S/C4H9NS/c6-5-3-1-2-4-5/h6H,1-4H2
InChIKeyLVGIUOZGDVZIMK-UHFFFAOYSA-N
XLogP0.93
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.93
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?
The IUPAC name of 1-sulfanylpyrrolidine (CID 19981904) is 1-sulfanylpyrrolidine.
What is the SMILES notation for 1-sulfanylpyrrolidine?
The canonical SMILES for 1-sulfanylpyrrolidine is SN1CCCC1.
What is the InChIKey of 1-sulfanylpyrrolidine?
The InChIKey is LVGIUOZGDVZIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c6-5-3-1-2-4-5/h6H,1-4H2.
What are the key properties of 1-sulfanylpyrrolidine?
1-sulfanylpyrrolidine has a molecular weight of 103.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpyrrolidine is sourced from PubChem (CID 19981904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).