N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide

C16H24N2O2S — CID 172740208

IUPACN-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1ccc(C2(N)CCOCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-15(2,3)21(19)18-12-13-4-6-14(7-5-13)16(17)8-10-20-11-9-16/h4-7,12H,8-11,17H2,1-3H3
InChIKeyIZNQCZGFCLSFIA-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.53
Rot. Bonds3

About N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide

N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 172740208) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID172740208
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1ccc(C2(N)CCOCC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-15(2,3)21(19)18-12-13-4-6-14(7-5-13)16(17)8-10-20-11-9-16/h4-7,12H,8-11,17H2,1-3H3
InChIKeyIZNQCZGFCLSFIA-UHFFFAOYSA-N
XLogP2.53
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide (CID 172740208) is N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1ccc(C2(N)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is IZNQCZGFCLSFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-15(2,3)21(19)18-12-13-4-6-14(7-5-13)16(17)8-10-20-11-9-16/h4-7,12H,8-11,17H2,1-3H3.
What are the key properties of N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide?
N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 308.45 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-aminooxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 172740208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).