N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine

C11H23NS — CID 58200071

IUPACN-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine
SMILESC=S(/C=N/C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C11H23NS/c1-10(2,3)8-13(7)9-12-11(4,5)6/h9H,7-8H2,1-6H3/b12-9+
InChIKeyFBHBJBPONCEMBR-FMIVXFBMSA-N
MW201.38 g/mol
LogP3.56
Rot. Bonds2

About N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine

N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine (PubChem CID 58200071) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine
PubChem CID58200071
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine
SMILESC=S(/C=N/C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C11H23NS/c1-10(2,3)8-13(7)9-12-11(4,5)6/h9H,7-8H2,1-6H3/b12-9+
InChIKeyFBHBJBPONCEMBR-FMIVXFBMSA-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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-5H-1,3-thiazole
CID 13901676
tert-butyl N-tert-butylmethanimidothioate
CID 58049912
1-[tert-butyl(methylidene)-lambda4-sulfanyl]-N-(2,2-dimethylpropyl)methanimine
CID 58200143
CID 101344811
CID 101344811

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine?
The IUPAC name of N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine (CID 58200071) is N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine is C=S(/C=N/C(C)(C)C)CC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine?
The InChIKey is FBHBJBPONCEMBR-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2,3)8-13(7)9-12-11(4,5)6/h9H,7-8H2,1-6H3/b12-9+.
What are the key properties of N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine?
N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine 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 N-tert-butyl-1-[2,2-dimethylpropyl(methylidene)-λ4-sulfanyl]methanimine is sourced from PubChem (CID 58200071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).