(Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine

C8H15NS — CID 144671896

IUPAC(Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine
SMILESC=C(/C(C)=N\SC)C(C)C
InChIInChI=1S/C8H15NS/c1-6(2)7(3)8(4)9-10-5/h6H,3H2,1-2,4-5H3/b9-8-
InChIKeyYKOQLNGBHXHVRT-HJWRWDBZSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds3

About (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine

(Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine (PubChem CID 144671896) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine.

Molecular Properties

Compound Name(Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine
PubChem CID144671896
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine
SMILESC=C(/C(C)=N\SC)C(C)C
InChIInChI=1S/C8H15NS/c1-6(2)7(3)8(4)9-10-5/h6H,3H2,1-2,4-5H3/b9-8-
InChIKeyYKOQLNGBHXHVRT-HJWRWDBZSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.94
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

(Z)-3-methyl-N-methylsulfanylbut-3-en-2-imine
CID 141867220
ethane;(Z)-3-methyl-N-methylsulfanylbut-3-en-2-imine
CID 144564368
2,4-dimethyl-N-methylsulfanylpent-1-en-3-imine
CID 174119125

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine?
The IUPAC name of (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine (CID 144671896) is (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine.
What is the SMILES notation for (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine?
The canonical SMILES for (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine is C=C(/C(C)=N\SC)C(C)C.
What is the InChIKey of (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine?
The InChIKey is YKOQLNGBHXHVRT-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)7(3)8(4)9-10-5/h6H,3H2,1-2,4-5H3/b9-8-.
What are the key properties of (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine?
(Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine has a molecular weight of 157.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-methylidene-N-methylsulfanylpentan-2-imine is sourced from PubChem (CID 144671896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).