(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

C12H17NS — CID 153342757

IUPAC(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESC=C/N=C1\C(C)=CS\C1=C(\C)C(C)C
InChIInChI=1S/C12H17NS/c1-6-13-11-9(4)7-14-12(11)10(5)8(2)3/h6-8H,1H2,2-5H3/b12-10-,13-11+
InChIKeySDWQPGFYQRMTHH-PJABCKPXSA-N
MW207.34 g/mol
LogP4.15
Rot. Bonds2

About (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (PubChem CID 153342757) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.

Molecular Properties

Compound Name(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
PubChem CID153342757
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESC=C/N=C1\C(C)=CS\C1=C(\C)C(C)C
InChIInChI=1S/C12H17NS/c1-6-13-11-9(4)7-14-12(11)10(5)8(2)3/h6-8H,1H2,2-5H3/b12-10-,13-11+
InChIKeySDWQPGFYQRMTHH-PJABCKPXSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 54.15
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

6,7-dimethyl-7H-thieno[3,2-b]azepine
CID 123404675
(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine
CID 139473671
(4E,5Z)-2-ethenylsulfanyl-N-[(Z)-3-methylbut-1-enyl]-4-prop-2-enylideneocta-1,5,7-trien-3-imine
CID 146176633
(4E,5Z)-2-ethenylsulfanyl-N-[(1Z)-3-methylidenepenta-1,4-dienyl]-4-prop-2-enylideneocta-1,5,7-trien-3-imine
CID 146270022
(4E,5Z)-2-ethenylsulfanyl-N-[(1Z)-3-methylpenta-1,4-dienyl]-4-prop-2-enylideneocta-1,5,7-trien-3-imine
CID 146270026
(4E,5Z)-2-ethenylsulfanyl-4-ethylidene-5-methyl-N-[(1Z)-3-methylpenta-1,4-dienyl]octa-1,5,7-trien-3-imine
CID 155154924
(4E,5Z)-2-ethenylsulfanyl-N-[(1Z)-penta-1,4-dienyl]-4-prop-2-enylideneocta-1,5,7-trien-3-imine
CID 156478429
(4E,6Z)-2-ethylsulfanyl-N-[(1Z)-3-methylpenta-1,4-dienyl]-4-[(Z)-prop-1-enyl]octa-1,4,6-trien-3-imine
CID 167072972
ethane;N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228188
(4E,5Z)-N-[(Z)-but-1-enyl]-2-ethenylsulfanyl-4-ethylideneocta-1,5,7-trien-3-imine
CID 169621965
1-(3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-2-ethenylsulfanyl-N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-en-1-imine
CID 170194372
(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170593162

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The IUPAC name of (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (CID 153342757) is (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.
What is the SMILES notation for (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The canonical SMILES for (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is C=C/N=C1\C(C)=CS\C1=C(\C)C(C)C.
What is the InChIKey of (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The InChIKey is SDWQPGFYQRMTHH-PJABCKPXSA-N. The full InChI is InChI=1S/C12H17NS/c1-6-13-11-9(4)7-14-12(11)10(5)8(2)3/h6-8H,1H2,2-5H3/b12-10-,13-11+.
What are the key properties of (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine has a molecular weight of 207.34 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is sourced from PubChem (CID 153342757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).