(2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide

C13H23NOS — CID 123418440

IUPAC(2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide
SMILESC=C(C)C/C=C(\C)S(=O)N=CCCCCC
InChIInChI=1S/C13H23NOS/c1-5-6-7-8-11-14-16(15)13(4)10-9-12(2)3/h10-11H,2,5-9H2,1,3-4H3/b13-10+,14-11?
InChIKeyYPRDLBPPGPTDSI-PEELMVAHSA-N
MW241.40 g/mol
LogP4.17
Rot. Bonds8

About (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide

(2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide (PubChem CID 123418440) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide.

Molecular Properties

Compound Name(2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide
PubChem CID123418440
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide
SMILESC=C(C)C/C=C(\C)S(=O)N=CCCCCC
InChIInChI=1S/C13H23NOS/c1-5-6-7-8-11-14-16(15)13(4)10-9-12(2)3/h10-11H,2,5-9H2,1,3-4H3/b13-10+,14-11?
InChIKeyYPRDLBPPGPTDSI-PEELMVAHSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-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 (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide?
The IUPAC name of (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide (CID 123418440) is (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide.
What is the SMILES notation for (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide?
The canonical SMILES for (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide is C=C(C)C/C=C(\C)S(=O)N=CCCCCC.
What is the InChIKey of (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide?
The InChIKey is YPRDLBPPGPTDSI-PEELMVAHSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-6-7-8-11-14-16(15)13(4)10-9-12(2)3/h10-11H,2,5-9H2,1,3-4H3/b13-10+,14-11?.
What are the key properties of (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide?
(2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide has a molecular weight of 241.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-hexylidene-5-methylhexa-2,5-diene-2-sulfinamide is sourced from PubChem (CID 123418440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).