(2,5-dihydropyridin-2-yldisulfanyl)methanamine

C6H10N2S2 — CID 123566113

IUPAC(2,5-dihydropyridin-2-yldisulfanyl)methanamine
SMILESNCSSC1C=CCC=N1
InChIInChI=1S/C6H10N2S2/c7-5-9-10-6-3-1-2-4-8-6/h1,3-4,6H,2,5,7H2
InChIKeyDFYWQQUHAFBMGB-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.64
Rot. Bonds3

About (2,5-dihydropyridin-2-yldisulfanyl)methanamine

(2,5-dihydropyridin-2-yldisulfanyl)methanamine (PubChem CID 123566113) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is (2,5-dihydropyridin-2-yldisulfanyl)methanamine.

Molecular Properties

Compound Name(2,5-dihydropyridin-2-yldisulfanyl)methanamine
PubChem CID123566113
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name(2,5-dihydropyridin-2-yldisulfanyl)methanamine
SMILESNCSSC1C=CCC=N1
InChIInChI=1S/C6H10N2S2/c7-5-9-10-6-3-1-2-4-8-6/h1,3-4,6H,2,5,7H2
InChIKeyDFYWQQUHAFBMGB-UHFFFAOYSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-Dihydropyridin-6-yldisulfanyl)ethanamine
CID 118675775
2-(2,3-Dihydropyridin-6-yldisulfanyl)-2,5-dihydropyridine
CID 123137850

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydropyridin-2-yldisulfanyl)methanamine?
The IUPAC name of (2,5-dihydropyridin-2-yldisulfanyl)methanamine (CID 123566113) is (2,5-dihydropyridin-2-yldisulfanyl)methanamine.
What is the SMILES notation for (2,5-dihydropyridin-2-yldisulfanyl)methanamine?
The canonical SMILES for (2,5-dihydropyridin-2-yldisulfanyl)methanamine is NCSSC1C=CCC=N1.
What is the InChIKey of (2,5-dihydropyridin-2-yldisulfanyl)methanamine?
The InChIKey is DFYWQQUHAFBMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c7-5-9-10-6-3-1-2-4-8-6/h1,3-4,6H,2,5,7H2.
What are the key properties of (2,5-dihydropyridin-2-yldisulfanyl)methanamine?
(2,5-dihydropyridin-2-yldisulfanyl)methanamine has a molecular weight of 174.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydropyridin-2-yldisulfanyl)methanamine is sourced from PubChem (CID 123566113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).