tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane

C7H15NOS — CID 165438166

IUPACtert-butyl-cyclopropyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(C1CC1)C(C)(C)C
InChIInChI=1S/C7H15NOS/c1-7(2,3)10(8,9)6-4-5-6/h6,8H,4-5H2,1-3H3
InChIKeyIEAQYFZZVUIOCR-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.99
Rot. Bonds1

About tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane

tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane (PubChem CID 165438166) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nametert-butyl-cyclopropyl-imino-oxo-λ6-sulfane
PubChem CID165438166
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Nametert-butyl-cyclopropyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(C1CC1)C(C)(C)C
InChIInChI=1S/C7H15NOS/c1-7(2,3)10(8,9)6-4-5-6/h6,8H,4-5H2,1-3H3
InChIKeyIEAQYFZZVUIOCR-UHFFFAOYSA-N
XLogP1.99
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl-cyclopropyl-imino-oxo-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 tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane?
The IUPAC name of tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane (CID 165438166) is tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane?
The canonical SMILES for tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane is [H]N=S(=O)(C1CC1)C(C)(C)C.
What is the InChIKey of tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane?
The InChIKey is IEAQYFZZVUIOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,3)10(8,9)6-4-5-6/h6,8H,4-5H2,1-3H3.
What are the key properties of tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane?
tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane has a molecular weight of 161.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclopropyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 165438166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).