N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine

C8H15NS — CID 126704572

IUPACN-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(\SC)C(C)C
InChIInChI=1S/C8H15NS/c1-6(2)8(10-5)7(3)9-4/h6H,4H2,1-3,5H3/b8-7-
InChIKeyZBFGPGHNXNNXPL-FPLPWBNLSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds3

About N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine

N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine (PubChem CID 126704572) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine
PubChem CID126704572
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(\SC)C(C)C
InChIInChI=1S/C8H15NS/c1-6(2)8(10-5)7(3)9-4/h6H,4H2,1-3,5H3/b8-7-
InChIKeyZBFGPGHNXNNXPL-FPLPWBNLSA-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'}

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Related Compounds

(Z)-2,5-dimethyl-4-methylsulfanylhex-3-en-3-amine
CID 170025013
N-(4-bromo-3-methylsulfanylbut-2-en-2-yl)methanimine
CID 91325584
methanol;N-[(2E,4Z,6E)-8-methyl-3-propan-2-ylnona-2,4,6-trien-2-yl]methanimine
CID 142914051
N'-[(E)-3,4-dimethylpent-2-en-2-yl]-N-methylideneethanimidamide
CID 154973119
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine
CID 143722867
2,3-difluoro-5-methyl-4-methylidenehex-2-ene
CID 123737950
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
CID 155041471
N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine
CID 167248501
N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine
CID 139299399
3-[(E)-2-fluoro-2-(methylideneamino)ethenyl]iminobutan-2-amine
CID 166870981
ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
CID 143976518

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine (CID 126704572) is N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine is C=N/C(C)=C(\SC)C(C)C.
What is the InChIKey of N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine?
The InChIKey is ZBFGPGHNXNNXPL-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)8(10-5)7(3)9-4/h6H,4H2,1-3,5H3/b8-7-.
What are the key properties of N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine?
N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine 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 N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine is sourced from PubChem (CID 126704572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).