tris[bis(prop-2-enyl)amino]sulfanium

C18H30N3S+ — CID 87207989

IUPACtris[bis(prop-2-enyl)amino]sulfanium
SMILESC=CCN(CC=C)[S+](N(CC=C)CC=C)N(CC=C)CC=C
InChIInChI=1S/C18H30N3S/c1-7-13-19(14-8-2)22(20(15-9-3)16-10-4)21(17-11-5)18-12-6/h7-12H,1-6,13-18H2/q+1
InChIKeyCTEZPPZQAZHUDU-UHFFFAOYSA-N
MW320.53 g/mol
LogP3.37
Rot. Bonds15

About tris[bis(prop-2-enyl)amino]sulfanium

tris[bis(prop-2-enyl)amino]sulfanium (PubChem CID 87207989) has the molecular formula C18H30N3S+ and a molecular weight of 320.53 g/mol. Its IUPAC name is tris[bis(prop-2-enyl)amino]sulfanium.

Molecular Properties

Compound Nametris[bis(prop-2-enyl)amino]sulfanium
PubChem CID87207989
Molecular FormulaC18H30N3S+
Molecular Weight320.53 g/mol
Exact Mass320.22
IUPAC Nametris[bis(prop-2-enyl)amino]sulfanium
SMILESC=CCN(CC=C)[S+](N(CC=C)CC=C)N(CC=C)CC=C
InChIInChI=1S/C18H30N3S/c1-7-13-19(14-8-2)22(20(15-9-3)16-10-4)21(17-11-5)18-12-6/h7-12H,1-6,13-18H2/q+1
InChIKeyCTEZPPZQAZHUDU-UHFFFAOYSA-N
XLogP3.37
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[bis(prop-2-enyl)amino]sulfanium?
The IUPAC name of tris[bis(prop-2-enyl)amino]sulfanium (CID 87207989) is tris[bis(prop-2-enyl)amino]sulfanium.
What is the SMILES notation for tris[bis(prop-2-enyl)amino]sulfanium?
The canonical SMILES for tris[bis(prop-2-enyl)amino]sulfanium is C=CCN(CC=C)[S+](N(CC=C)CC=C)N(CC=C)CC=C.
What is the InChIKey of tris[bis(prop-2-enyl)amino]sulfanium?
The InChIKey is CTEZPPZQAZHUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N3S/c1-7-13-19(14-8-2)22(20(15-9-3)16-10-4)21(17-11-5)18-12-6/h7-12H,1-6,13-18H2/q+1.
What are the key properties of tris[bis(prop-2-enyl)amino]sulfanium?
tris[bis(prop-2-enyl)amino]sulfanium has a molecular weight of 320.53 g/mol, XLogP of 3.37, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[bis(prop-2-enyl)amino]sulfanium is sourced from PubChem (CID 87207989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).