(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine

C10H15NS — CID 163710913

IUPAC(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
SMILESCCC/C(C)=C1\SC=C\C1=N/C
InChIInChI=1S/C10H15NS/c1-4-5-8(2)10-9(11-3)6-7-12-10/h6-7H,4-5H2,1-3H3/b10-8-,11-9+
InChIKeyKJDHVSZHBOXUAS-PNQPDEHRSA-N
MW181.30 g/mol
LogP3.39
Rot. Bonds2

About (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine

(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine (PubChem CID 163710913) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine.

Molecular Properties

Compound Name(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
PubChem CID163710913
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
SMILESCCC/C(C)=C1\SC=C\C1=N/C
InChIInChI=1S/C10H15NS/c1-4-5-8(2)10-9(11-3)6-7-12-10/h6-7H,4-5H2,1-3H3/b10-8-,11-9+
InChIKeyKJDHVSZHBOXUAS-PNQPDEHRSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.39
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-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine
CID 146590425
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
6-(2,3-Dihydrothiophen-2-yl)-2,3-dihydropyridine
CID 155216911
7-Methyl-5,6-dihydrothieno[3,2-b]pyridine
CID 167152890
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073
(2Z)-N-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 172242064
5-Ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine
CID 177183357

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine?
The IUPAC name of (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine (CID 163710913) is (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine.
What is the SMILES notation for (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine?
The canonical SMILES for (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine is CCC/C(C)=C1\SC=C\C1=N/C.
What is the InChIKey of (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine?
The InChIKey is KJDHVSZHBOXUAS-PNQPDEHRSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-5-8(2)10-9(11-3)6-7-12-10/h6-7H,4-5H2,1-3H3/b10-8-,11-9+.
What are the key properties of (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine?
(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine has a molecular weight of 181.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine is sourced from PubChem (CID 163710913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).