1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine

C6H12N2S2 — CID 87295265

IUPAC1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine
SMILESC=CC(N)SSC(N)C=C
InChIInChI=1S/C6H12N2S2/c1-3-5(7)9-10-6(8)4-2/h3-6H,1-2,7-8H2
InChIKeyMVXSYVFMRVCHHG-UHFFFAOYSA-N
MW176.31 g/mol
LogP1.31
Rot. Bonds5

About 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine

1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine (PubChem CID 87295265) has the molecular formula C6H12N2S2 and a molecular weight of 176.31 g/mol. Its IUPAC name is 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine
PubChem CID87295265
Molecular FormulaC6H12N2S2
Molecular Weight176.31 g/mol
Exact Mass176.04
IUPAC Name1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine
SMILESC=CC(N)SSC(N)C=C
InChIInChI=1S/C6H12N2S2/c1-3-5(7)9-10-6(8)4-2/h3-6H,1-2,7-8H2
InChIKeyMVXSYVFMRVCHHG-UHFFFAOYSA-N
XLogP1.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine?
The IUPAC name of 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine (CID 87295265) is 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine?
The canonical SMILES for 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine is C=CC(N)SSC(N)C=C.
What is the InChIKey of 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine?
The InChIKey is MVXSYVFMRVCHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2/c1-3-5(7)9-10-6(8)4-2/h3-6H,1-2,7-8H2.
What are the key properties of 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine?
1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine has a molecular weight of 176.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoprop-2-enyldisulfanyl)prop-2-en-1-amine is sourced from PubChem (CID 87295265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).