N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide

C13H17NOS — CID 145298803

IUPACN-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C13H17NOS/c1-13(2,3)16(15)14-12-10-8-6-4-5-7-9-11-12/h4-11H,1-3H3/b6-4-,7-5-,10-8-,11-9-
InChIKeyYAVWGWMKGSVOKT-FNPFZWACSA-N
MW235.35 g/mol
LogP3.13
Rot. Bonds1

About N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide

N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 145298803) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID145298803
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C13H17NOS/c1-13(2,3)16(15)14-12-10-8-6-4-5-7-9-11-12/h4-11H,1-3H3/b6-4-,7-5-,10-8-,11-9-
InChIKeyYAVWGWMKGSVOKT-FNPFZWACSA-N
XLogP3.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(NE,R)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide
CID 134939284
N-cycloundeca-2,4,6,8,10-pentaen-1-ylidenemethanesulfinamide
CID 134443217
3-Methyl-2,1-benzothiazole 2-oxide
CID 141403172
(NZ)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide
CID 177418458
(NE)-2-methyl-N-[(E)-pent-3-en-2-ylidene]propane-2-sulfinamide
CID 177424024

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide (CID 145298803) is N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1/C=C\C=C/C=C\C=C/1.
What is the InChIKey of N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is YAVWGWMKGSVOKT-FNPFZWACSA-N. The full InChI is InChI=1S/C13H17NOS/c1-13(2,3)16(15)14-12-10-8-6-4-5-7-9-11-12/h4-11H,1-3H3/b6-4-,7-5-,10-8-,11-9-.
What are the key properties of N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide?
N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 235.35 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 145298803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).