(NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane

C14H27NO3S — CID 171834010

IUPAC(NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane
SMILESCC.CC(C)(C)S(=O)/N=C1\CCCCC12OCCO2
InChIInChI=1S/C12H21NO3S.C2H6/c1-11(2,3)17(14)13-10-6-4-5-7-12(10)15-8-9-16-12;1-2/h4-9H2,1-3H3;1-2H3/b13-10+;
InChIKeyMQPHYDOFPOMCDV-RSGUCCNWSA-N
MW289.44 g/mol
LogP3.23
Rot. Bonds1

About (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane

(NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane (PubChem CID 171834010) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane.

Molecular Properties

Compound Name(NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane
PubChem CID171834010
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name(NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane
SMILESCC.CC(C)(C)S(=O)/N=C1\CCCCC12OCCO2
InChIInChI=1S/C12H21NO3S.C2H6/c1-11(2,3)17(14)13-10-6-4-5-7-12(10)15-8-9-16-12;1-2/h4-9H2,1-3H3;1-2H3/b13-10+;
InChIKeyMQPHYDOFPOMCDV-RSGUCCNWSA-N
XLogP3.23
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane 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 (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane?
The IUPAC name of (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane (CID 171834010) is (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane.
What is the SMILES notation for (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane?
The canonical SMILES for (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane is CC.CC(C)(C)S(=O)/N=C1\CCCCC12OCCO2.
What is the InChIKey of (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane?
The InChIKey is MQPHYDOFPOMCDV-RSGUCCNWSA-N. The full InChI is InChI=1S/C12H21NO3S.C2H6/c1-11(2,3)17(14)13-10-6-4-5-7-12(10)15-8-9-16-12;1-2/h4-9H2,1-3H3;1-2H3/b13-10+;.
What are the key properties of (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane?
(NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane has a molecular weight of 289.44 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,4-dioxaspiro[4.5]decan-6-ylidene)-2-methylpropane-2-sulfinamide;ethane is sourced from PubChem (CID 171834010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).