(Z)-N-tert-butylsulfanylpropan-1-imine

C7H15NS — CID 156639534

IUPAC(Z)-N-tert-butylsulfanylpropan-1-imine
SMILESCC/C=N\SC(C)(C)C
InChIInChI=1S/C7H15NS/c1-5-6-8-9-7(2,3)4/h6H,5H2,1-4H3/b8-6-
InChIKeyUKJUFDRNMBIKNC-VURMDHGXSA-N
MW145.27 g/mol
LogP2.91
Rot. Bonds2

About (Z)-N-tert-butylsulfanylpropan-1-imine

(Z)-N-tert-butylsulfanylpropan-1-imine (PubChem CID 156639534) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (Z)-N-tert-butylsulfanylpropan-1-imine.

Molecular Properties

Compound Name(Z)-N-tert-butylsulfanylpropan-1-imine
PubChem CID156639534
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(Z)-N-tert-butylsulfanylpropan-1-imine
SMILESCC/C=N\SC(C)(C)C
InChIInChI=1S/C7H15NS/c1-5-6-8-9-7(2,3)4/h6H,5H2,1-4H3/b8-6-
InChIKeyUKJUFDRNMBIKNC-VURMDHGXSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-tert-butylsulfanylpropan-1-imine 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 (Z)-N-tert-butylsulfanylpropan-1-imine?
The IUPAC name of (Z)-N-tert-butylsulfanylpropan-1-imine (CID 156639534) is (Z)-N-tert-butylsulfanylpropan-1-imine.
What is the SMILES notation for (Z)-N-tert-butylsulfanylpropan-1-imine?
The canonical SMILES for (Z)-N-tert-butylsulfanylpropan-1-imine is CC/C=N\SC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butylsulfanylpropan-1-imine?
The InChIKey is UKJUFDRNMBIKNC-VURMDHGXSA-N. The full InChI is InChI=1S/C7H15NS/c1-5-6-8-9-7(2,3)4/h6H,5H2,1-4H3/b8-6-.
What are the key properties of (Z)-N-tert-butylsulfanylpropan-1-imine?
(Z)-N-tert-butylsulfanylpropan-1-imine has a molecular weight of 145.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butylsulfanylpropan-1-imine is sourced from PubChem (CID 156639534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).