(Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine

C11H23NS — CID 58200065

IUPAC(Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine
SMILESC=S(C/N=C\C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23NS/c1-10(2,3)8-12-9-13(7)11(4,5)6/h8H,7,9H2,1-6H3/b12-8-
InChIKeyIYMPVUOTEUJYHO-WQLSENKSSA-N
MW201.38 g/mol
LogP3.56
Rot. Bonds2

About (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine

(Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine (PubChem CID 58200065) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name(Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine
PubChem CID58200065
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine
SMILESC=S(C/N=C\C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23NS/c1-10(2,3)8-12-9-13(7)11(4,5)6/h8H,7,9H2,1-6H3/b12-8-
InChIKeyIYMPVUOTEUJYHO-WQLSENKSSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine?
The IUPAC name of (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine (CID 58200065) is (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine?
The canonical SMILES for (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine is C=S(C/N=C\C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine?
The InChIKey is IYMPVUOTEUJYHO-WQLSENKSSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2,3)8-12-9-13(7)11(4,5)6/h8H,7,9H2,1-6H3/b12-8-.
What are the key properties of (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine?
(Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine has a molecular weight of 201.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 58200065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).