N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide

C11H21NOS — CID 146384520

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide
SMILESCC(C)=CCC/C(C)=C/CNS(C)=O
InChIInChI=1S/C11H21NOS/c1-10(2)6-5-7-11(3)8-9-12-14(4)13/h6,8,12H,5,7,9H2,1-4H3/b11-8+
InChIKeyIHMKGNCYHSTCHM-DHZHZOJOSA-N
MW215.36 g/mol
LogP2.56
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide (PubChem CID 146384520) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide
PubChem CID146384520
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide
SMILESCC(C)=CCC/C(C)=C/CNS(C)=O
InChIInChI=1S/C11H21NOS/c1-10(2)6-5-7-11(3)8-9-12-14(4)13/h6,8,12H,5,7,9H2,1-4H3/b11-8+
InChIKeyIHMKGNCYHSTCHM-DHZHZOJOSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide (CID 146384520) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide is CC(C)=CCC/C(C)=C/CNS(C)=O.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide?
The InChIKey is IHMKGNCYHSTCHM-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H21NOS/c1-10(2)6-5-7-11(3)8-9-12-14(4)13/h6,8,12H,5,7,9H2,1-4H3/b11-8+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]methanesulfinamide is sourced from PubChem (CID 146384520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).