N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine

C9H17NS — CID 143129456

IUPACN-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C(/CCC)SC
InChIInChI=1S/C9H17NS/c1-5-7-9(11-4)8(3)10-6-2/h6H,5,7H2,1-4H3/b9-8-,10-6+
InChIKeyCOXORAZVJNBCPI-GEZUXRPRSA-N
MW171.31 g/mol
LogP3.47
Rot. Bonds4

About N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine

N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine (PubChem CID 143129456) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine
PubChem CID143129456
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C(/CCC)SC
InChIInChI=1S/C9H17NS/c1-5-7-9(11-4)8(3)10-6-2/h6H,5,7H2,1-4H3/b9-8-,10-6+
InChIKeyCOXORAZVJNBCPI-GEZUXRPRSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine 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 N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine?
The IUPAC name of N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine (CID 143129456) is N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine.
What is the SMILES notation for N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine?
The canonical SMILES for N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine is C/C=N/C(C)=C(/CCC)SC.
What is the InChIKey of N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine?
The InChIKey is COXORAZVJNBCPI-GEZUXRPRSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-7-9(11-4)8(3)10-6-2/h6H,5,7H2,1-4H3/b9-8-,10-6+.
What are the key properties of N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine?
N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine has a molecular weight of 171.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylsulfanylhex-2-en-2-yl]ethanimine is sourced from PubChem (CID 143129456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).