(2R,5R)-pyrrolidine-2,5-dithiol

C4H9NS2 — CID 151347438

IUPAC(2R,5R)-pyrrolidine-2,5-dithiol
SMILESS[C@@H]1CC[C@@H](S)N1
InChIInChI=1S/C4H9NS2/c6-3-1-2-4(7)5-3/h3-7H,1-2H2/t3-,4-/m1/s1
InChIKeyOLTRTPPSWNNHPN-QWWZWVQMSA-N
MW135.26 g/mol
LogP0.88
Rot. Bonds

About (2R,5R)-pyrrolidine-2,5-dithiol

(2R,5R)-pyrrolidine-2,5-dithiol (PubChem CID 151347438) has the molecular formula C4H9NS2 and a molecular weight of 135.26 g/mol. Its IUPAC name is (2R,5R)-pyrrolidine-2,5-dithiol.

Molecular Properties

Compound Name(2R,5R)-pyrrolidine-2,5-dithiol
PubChem CID151347438
Molecular FormulaC4H9NS2
Molecular Weight135.26 g/mol
Exact Mass135.02
IUPAC Name(2R,5R)-pyrrolidine-2,5-dithiol
SMILESS[C@@H]1CC[C@@H](S)N1
InChIInChI=1S/C4H9NS2/c6-3-1-2-4(7)5-3/h3-7H,1-2H2/t3-,4-/m1/s1
InChIKeyOLTRTPPSWNNHPN-QWWZWVQMSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,5-dimethylpyrrolidine;ethane
CID 177006469
2-methyl-6-sulfanyl-1,3-diazinan-4-one
CID 75088843
azonane-2-thiol
CID 166727126
1,4,5,6-tetrahydropyrimidine-6-thiol
CID 87635489
6-octoxydiazinane-3-thiol
CID 140569598
33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetracontane
CID 90995297
(2R,4S)-2-methylpiperidine-4-thiol
CID 94843330
4-sulfanylimidazolidine-2-thione
CID 151716523
2-methyl-3-propan-2-yl-6-sulfanylpiperidin-2-ol
CID 129042476
(2R,6S)-2,6-dimethylpiperidine;hydrochloride
CID 6420071
azetidine-3-thiol
CID 10920514
2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine
CID 58594538

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-pyrrolidine-2,5-dithiol?
The IUPAC name of (2R,5R)-pyrrolidine-2,5-dithiol (CID 151347438) is (2R,5R)-pyrrolidine-2,5-dithiol.
What is the SMILES notation for (2R,5R)-pyrrolidine-2,5-dithiol?
The canonical SMILES for (2R,5R)-pyrrolidine-2,5-dithiol is S[C@@H]1CC[C@@H](S)N1.
What is the InChIKey of (2R,5R)-pyrrolidine-2,5-dithiol?
The InChIKey is OLTRTPPSWNNHPN-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H9NS2/c6-3-1-2-4(7)5-3/h3-7H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (2R,5R)-pyrrolidine-2,5-dithiol?
(2R,5R)-pyrrolidine-2,5-dithiol has a molecular weight of 135.26 g/mol, XLogP of 0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-pyrrolidine-2,5-dithiol is sourced from PubChem (CID 151347438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).