(3S)-3-ethyl-1-sulfanylpyrrolidine

C6H13NS — CID 89170978

IUPAC(3S)-3-ethyl-1-sulfanylpyrrolidine
SMILESCC[C@H]1CCN(S)C1
InChIInChI=1S/C6H13NS/c1-2-6-3-4-7(8)5-6/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyKAHFFBRABUJAFN-LURJTMIESA-N
MW131.24 g/mol
LogP1.56
Rot. Bonds1

About (3S)-3-ethyl-1-sulfanylpyrrolidine

(3S)-3-ethyl-1-sulfanylpyrrolidine (PubChem CID 89170978) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (3S)-3-ethyl-1-sulfanylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-ethyl-1-sulfanylpyrrolidine
PubChem CID89170978
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(3S)-3-ethyl-1-sulfanylpyrrolidine
SMILESCC[C@H]1CCN(S)C1
InChIInChI=1S/C6H13NS/c1-2-6-3-4-7(8)5-6/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyKAHFFBRABUJAFN-LURJTMIESA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.56
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 (3S)-3-ethyl-1-sulfanylpyrrolidine?
The IUPAC name of (3S)-3-ethyl-1-sulfanylpyrrolidine (CID 89170978) is (3S)-3-ethyl-1-sulfanylpyrrolidine.
What is the SMILES notation for (3S)-3-ethyl-1-sulfanylpyrrolidine?
The canonical SMILES for (3S)-3-ethyl-1-sulfanylpyrrolidine is CC[C@H]1CCN(S)C1.
What is the InChIKey of (3S)-3-ethyl-1-sulfanylpyrrolidine?
The InChIKey is KAHFFBRABUJAFN-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NS/c1-2-6-3-4-7(8)5-6/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-sulfanylpyrrolidine?
(3S)-3-ethyl-1-sulfanylpyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-sulfanylpyrrolidine is sourced from PubChem (CID 89170978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).