[(2S)-pyrrolidin-2-yl]methanedithiol

C5H11NS2 — CID 91562431

IUPAC[(2S)-pyrrolidin-2-yl]methanedithiol
SMILESSC(S)[C@@H]1CCCN1
InChIInChI=1S/C5H11NS2/c7-5(8)4-2-1-3-6-4/h4-8H,1-3H2/t4-/m0/s1
InChIKeyFMSUOFTUGGLXLK-BYPYZUCNSA-N
MW149.28 g/mol
LogP0.92
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]methanedithiol

[(2S)-pyrrolidin-2-yl]methanedithiol (PubChem CID 91562431) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methanedithiol.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methanedithiol
PubChem CID91562431
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Name[(2S)-pyrrolidin-2-yl]methanedithiol
SMILESSC(S)[C@@H]1CCCN1
InChIInChI=1S/C5H11NS2/c7-5(8)4-2-1-3-6-4/h4-8H,1-3H2/t4-/m0/s1
InChIKeyFMSUOFTUGGLXLK-BYPYZUCNSA-N
XLogP0.92
TPSA12.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(2S)-pyrrolidin-2-yl]methanedithiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
CID 138712862
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
(2S)-2-(dimethoxymethyl)pyrrolidine
CID 11658393
(R)-cyclopentyl-[(2S)-pyrrolidin-2-yl]methanol
CID 138485478
1-pyrrolidin-2-ylethane-1,2-diamine
CID 10866359
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
N,N,2-trimethyl-1-pyrrolidin-2-ylpropan-1-amine
CID 116906314
(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 164661994

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]methanedithiol?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methanedithiol (CID 91562431) is [(2S)-pyrrolidin-2-yl]methanedithiol.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methanedithiol?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methanedithiol is SC(S)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methanedithiol?
The InChIKey is FMSUOFTUGGLXLK-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NS2/c7-5(8)4-2-1-3-6-4/h4-8H,1-3H2/t4-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methanedithiol?
[(2S)-pyrrolidin-2-yl]methanedithiol has a molecular weight of 149.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methanedithiol is sourced from PubChem (CID 91562431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).