ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine

C11H19NS — CID 170732073

IUPACethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
SMILESCC.CC/N=C1\C=CSC1=C(C)C
InChIInChI=1S/C9H13NS.C2H6/c1-4-10-8-5-6-11-9(8)7(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b10-8+;
InChIKeyQSFFRZQOVOQZHN-VRTOBVRTSA-N
MW197.35 g/mol
LogP4.03
Rot. Bonds1

About ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine

ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine (PubChem CID 170732073) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine.

Molecular Properties

Compound Nameethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
PubChem CID170732073
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Nameethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
SMILESCC.CC/N=C1\C=CSC1=C(C)C
InChIInChI=1S/C9H13NS.C2H6/c1-4-10-8-5-6-11-9(8)7(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b10-8+;
InChIKeyQSFFRZQOVOQZHN-VRTOBVRTSA-N
XLogP4.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 54.03
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

N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
CID 143858138
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858158
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858162
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342777
(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342778
(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
CID 163710913
(E)-6-ethylsulfanyl-N-propan-2-ylhept-3-en-2-imine
CID 165372336
7-Methyl-5,6-dihydrothieno[3,2-b]pyridine
CID 167152890

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine?
The IUPAC name of ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine (CID 170732073) is ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine.
What is the SMILES notation for ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine?
The canonical SMILES for ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine is CC.CC/N=C1\C=CSC1=C(C)C.
What is the InChIKey of ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine?
The InChIKey is QSFFRZQOVOQZHN-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H13NS.C2H6/c1-4-10-8-5-6-11-9(8)7(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b10-8+;.
What are the key properties of ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine?
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine has a molecular weight of 197.35 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine is sourced from PubChem (CID 170732073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).