(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine

C5H9NS — CID 88945658

IUPAC(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
SMILESC/N=C/C=C\SC
InChIInChI=1S/C5H9NS/c1-6-4-3-5-7-2/h3-5H,1-2H3/b5-3-,6-4+
InChIKeyXCZKZRNTUPWMSO-CIIODKQPSA-N
MW115.20 g/mol
LogP1.56
Rot. Bonds2

About (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine

(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine (PubChem CID 88945658) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
PubChem CID88945658
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine
SMILESC/N=C/C=C\SC
InChIInChI=1S/C5H9NS/c1-6-4-3-5-7-2/h3-5H,1-2H3/b5-3-,6-4+
InChIKeyXCZKZRNTUPWMSO-CIIODKQPSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-1,3-Thiazine
CID 15789246
2,3-Dihydro-1,4-thiazepine
CID 22562051
Hydro-1,3-thiazine hydrochloride
CID 121482079
1,2,4-Dithiazepine
CID 129789436
Thioxo-1,3-thiazine
CID 129792631
2-Methyl-1,4-thiazepine
CID 19766152
N-ethylsulfanylprop-2-en-1-imine
CID 90713524
CID 90936244
CID 90936244
Ethane;2-methylidene-1,3-thiazine
CID 91381048
N-prop-1-enylsulfanylethanimine
CID 118029242
N-[(E)-3-methylsulfanylprop-2-enyl]methanimine
CID 118675776
N-methyl-2-methylsulfanylprop-2-en-1-imine
CID 121247619

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine (CID 88945658) is (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine is C/N=C/C=C\SC.
What is the InChIKey of (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine?
The InChIKey is XCZKZRNTUPWMSO-CIIODKQPSA-N. The full InChI is InChI=1S/C5H9NS/c1-6-4-3-5-7-2/h3-5H,1-2H3/b5-3-,6-4+.
What are the key properties of (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine?
(Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine has a molecular weight of 115.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-methylsulfanylprop-2-en-1-imine is sourced from PubChem (CID 88945658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).