N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine

C12H20N2S2 — CID 14710479

IUPACN-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)SSN(CC=C)CC=C
InChIInChI=1S/C12H20N2S2/c1-5-9-13(10-6-2)15-16-14(11-7-3)12-8-4/h5-8H,1-4,9-12H2
InChIKeyQOAPNAPUYZHROG-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.55
Rot. Bonds11

About N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine

N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 14710479) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID14710479
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)SSN(CC=C)CC=C
InChIInChI=1S/C12H20N2S2/c1-5-9-13(10-6-2)15-16-14(11-7-3)12-8-4/h5-8H,1-4,9-12H2
InChIKeyQOAPNAPUYZHROG-UHFFFAOYSA-N
XLogP3.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine (CID 14710479) is N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)SSN(CC=C)CC=C.
What is the InChIKey of N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is QOAPNAPUYZHROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-5-9-13(10-6-2)15-16-14(11-7-3)12-8-4/h5-8H,1-4,9-12H2.
What are the key properties of N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 256.44 g/mol, XLogP of 3.55, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 14710479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).