CID 145362144

C5H11NO2S2 — CID 145362144

IUPAC—
SMILESO=C(O)C1CCCN1.SS
InChIInChI=1S/C5H9NO2.H2S2/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H
InChIKeyMYJWKSNRKLJDQJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.58
Rot. Bonds1

About CID 145362144

CID 145362144 (PubChem CID 145362144) has the molecular formula C5H11NO2S2 and a molecular weight of 181.28 g/mol.

Molecular Properties

Compound NameCID 145362144
PubChem CID145362144
Molecular FormulaC5H11NO2S2
Molecular Weight181.28 g/mol
Exact Mass181.02
IUPAC Name—
SMILESO=C(O)C1CCCN1.SS
InChIInChI=1S/C5H9NO2.H2S2/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H
InChIKeyMYJWKSNRKLJDQJ-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
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argon;(2S)-pyrrolidine-2-carboxylic acid
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methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640

Frequently Asked Questions

What is the IUPAC name of CID 145362144?
The IUPAC name of CID 145362144 (CID 145362144) is not available.
What is the SMILES notation for CID 145362144?
The canonical SMILES for CID 145362144 is O=C(O)C1CCCN1.SS.
What is the InChIKey of CID 145362144?
The InChIKey is MYJWKSNRKLJDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.H2S2/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H.
What are the key properties of CID 145362144?
CID 145362144 has a molecular weight of 181.28 g/mol, XLogP of 0.58, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145362144 is sourced from PubChem (CID 145362144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).