N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide

C15H29NO3S — CID 67268344

IUPACN-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide
SMILESCCC1(CCCCCC=NS(=O)C(C)(C)C)OCCO1
InChIInChI=1S/C15H29NO3S/c1-5-15(18-12-13-19-15)10-8-6-7-9-11-16-20(17)14(2,3)4/h11H,5-10,12-13H2,1-4H3
InChIKeyNYUIOYSFCVJHLE-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.62
Rot. Bonds8

About N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide

N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide (PubChem CID 67268344) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide
PubChem CID67268344
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC NameN-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide
SMILESCCC1(CCCCCC=NS(=O)C(C)(C)C)OCCO1
InChIInChI=1S/C15H29NO3S/c1-5-15(18-12-13-19-15)10-8-6-7-9-11-16-20(17)14(2,3)4/h11H,5-10,12-13H2,1-4H3
InChIKeyNYUIOYSFCVJHLE-UHFFFAOYSA-N
XLogP3.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide (CID 67268344) is N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide is CCC1(CCCCCC=NS(=O)C(C)(C)C)OCCO1.
What is the InChIKey of N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is NYUIOYSFCVJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-5-15(18-12-13-19-15)10-8-6-7-9-11-16-20(17)14(2,3)4/h11H,5-10,12-13H2,1-4H3.
What are the key properties of N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide?
N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 303.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-1,3-dioxolan-2-yl)hexylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67268344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).