(NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide

C19H15NOS — CID 134875152

IUPAC(NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide
SMILESO=[S@](/N=C/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H15NOS/c21-22(20-15-7-10-16-8-2-1-3-9-16)19-14-6-12-17-11-4-5-13-18(17)19/h1-15H/b10-7+,20-15+/t22-/m0/s1
InChIKeyTWGFDJCNRMMLOG-PPASZDGHSA-N
MW305.40 g/mol
LogP4.65
Rot. Bonds4

About (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide

(NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide (PubChem CID 134875152) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide
PubChem CID134875152
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name(NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide
SMILESO=[S@](/N=C/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H15NOS/c21-22(20-15-7-10-16-8-2-1-3-9-16)19-14-6-12-17-11-4-5-13-18(17)19/h1-15H/b10-7+,20-15+/t22-/m0/s1
InChIKeyTWGFDJCNRMMLOG-PPASZDGHSA-N
XLogP4.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide 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 (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide?
The IUPAC name of (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide (CID 134875152) is (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide.
What is the SMILES notation for (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide?
The canonical SMILES for (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide is O=[S@](/N=C/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide?
The InChIKey is TWGFDJCNRMMLOG-PPASZDGHSA-N. The full InChI is InChI=1S/C19H15NOS/c21-22(20-15-7-10-16-8-2-1-3-9-16)19-14-6-12-17-11-4-5-13-18(17)19/h1-15H/b10-7+,20-15+/t22-/m0/s1.
What are the key properties of (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide?
(NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide has a molecular weight of 305.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide is sourced from PubChem (CID 134875152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).