(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine

C6H11NS — CID 142086070

IUPAC(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine
SMILESC/C=N\SC=C(C)C
InChIInChI=1S/C6H11NS/c1-4-7-8-5-6(2)3/h4-5H,1-3H3/b7-4-
InChIKeyJOVDZOIYDRQIRM-DAXSKMNVSA-N
MW129.23 g/mol
LogP2.65
Rot. Bonds2

About (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine

(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine (PubChem CID 142086070) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine.

Molecular Properties

Compound Name(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine
PubChem CID142086070
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine
SMILESC/C=N\SC=C(C)C
InChIInChI=1S/C6H11NS/c1-4-7-8-5-6(2)3/h4-5H,1-3H3/b7-4-
InChIKeyJOVDZOIYDRQIRM-DAXSKMNVSA-N
XLogP2.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.65
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'}

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Related Compounds

5-methyl-6H-thiazine
CID 15543632
(Z)-N-prop-1-en-2-ylsulfanylethanimine
CID 89264484
N-ethylsulfanylprop-2-en-1-imine
CID 90713524
5-methyl-4H-thiazine
CID 91234065
N-prop-1-enylsulfanylethanimine
CID 118029242
N-prop-1-en-2-ylsulfanylethanimine
CID 123475296
(E)-N-[(E)-prop-1-enyl]sulfanylethanimine
CID 143368760
(Z)-N-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine
CID 144796564
N-[(Z)-prop-1-enyl]sulfanylethanimine
CID 154043984
ethane;(Z)-N-prop-1-en-2-ylsulfanylethanimine
CID 168907829
N-butan-2-ylsulfanylprop-2-en-1-imine
CID 173610937
N-butylsulfanyl-2-methylprop-2-en-1-imine
CID 173638796

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine?
The IUPAC name of (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine (CID 142086070) is (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine.
What is the SMILES notation for (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine?
The canonical SMILES for (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine is C/C=N\SC=C(C)C.
What is the InChIKey of (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine?
The InChIKey is JOVDZOIYDRQIRM-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-7-8-5-6(2)3/h4-5H,1-3H3/b7-4-.
What are the key properties of (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine?
(Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine has a molecular weight of 129.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methylprop-1-enylsulfanyl)ethanimine is sourced from PubChem (CID 142086070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).