3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine

C15H16N2S2 — CID 175085870

IUPAC3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine
SMILESNC=C(N)C(SS)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2S2/c16-11-14(17)15(19-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,18H,16-17H2
InChIKeyCDSXNUWLBDYPJW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.27
Rot. Bonds4

About 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine

3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine (PubChem CID 175085870) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine
PubChem CID175085870
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine
SMILESNC=C(N)C(SS)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2S2/c16-11-14(17)15(19-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,18H,16-17H2
InChIKeyCDSXNUWLBDYPJW-UHFFFAOYSA-N
XLogP3.27
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine?
The IUPAC name of 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine (CID 175085870) is 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine.
What is the SMILES notation for 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine?
The canonical SMILES for 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine is NC=C(N)C(SS)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine?
The InChIKey is CDSXNUWLBDYPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c16-11-14(17)15(19-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,18H,16-17H2.
What are the key properties of 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine?
3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)-3,3-diphenylprop-1-ene-1,2-diamine is sourced from PubChem (CID 175085870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).