N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide

C13H23NOS — CID 123322234

IUPACN-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide
SMILESCC=CC(C)=C(C)CCC(C)=NS(=O)CC
InChIInChI=1S/C13H23NOS/c1-6-8-11(3)12(4)9-10-13(5)14-16(15)7-2/h6,8H,7,9-10H2,1-5H3
InChIKeyWGQBPGPFRGECLJ-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.82
Rot. Bonds6

About N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide

N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide (PubChem CID 123322234) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide.

Molecular Properties

Compound NameN-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide
PubChem CID123322234
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide
SMILESCC=CC(C)=C(C)CCC(C)=NS(=O)CC
InChIInChI=1S/C13H23NOS/c1-6-8-11(3)12(4)9-10-13(5)14-16(15)7-2/h6,8H,7,9-10H2,1-5H3
InChIKeyWGQBPGPFRGECLJ-UHFFFAOYSA-N
XLogP3.82
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide?
The IUPAC name of N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide (CID 123322234) is N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide.
What is the SMILES notation for N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide?
The canonical SMILES for N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide is CC=CC(C)=C(C)CCC(C)=NS(=O)CC.
What is the InChIKey of N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide?
The InChIKey is WGQBPGPFRGECLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-6-8-11(3)12(4)9-10-13(5)14-16(15)7-2/h6,8H,7,9-10H2,1-5H3.
What are the key properties of N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide?
N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide has a molecular weight of 241.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylnona-5,7-dien-2-ylidene)ethanesulfinamide is sourced from PubChem (CID 123322234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).