imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane

C7H17NS — CID 163807897

IUPACimino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane
SMILES[H]N=S(=C)(C)C(C)(C)CC
InChIInChI=1S/C7H17NS/c1-6-7(2,3)9(4,5)8/h8H,4,6H2,1-3,5H3
InChIKeyNKQOEOYTASIJDP-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.15
Rot. Bonds2

About imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane

imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane (PubChem CID 163807897) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane
PubChem CID163807897
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Nameimino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane
SMILES[H]N=S(=C)(C)C(C)(C)CC
InChIInChI=1S/C7H17NS/c1-6-7(2,3)9(4,5)8/h8H,4,6H2,1-3,5H3
InChIKeyNKQOEOYTASIJDP-UHFFFAOYSA-N
XLogP2.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane 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 imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane?
The IUPAC name of imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane (CID 163807897) is imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane.
What is the SMILES notation for imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane?
The canonical SMILES for imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane is [H]N=S(=C)(C)C(C)(C)CC.
What is the InChIKey of imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane?
The InChIKey is NKQOEOYTASIJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-6-7(2,3)9(4,5)8/h8H,4,6H2,1-3,5H3.
What are the key properties of imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane?
imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane has a molecular weight of 147.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-(2-methylbutan-2-yl)-methylidene-λ6-sulfane is sourced from PubChem (CID 163807897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).