N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide

C11H15N3S — CID 177255763

IUPACN'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCCc1c(C)sc(N=CN(C)C)c1C#N
InChIInChI=1S/C11H15N3S/c1-5-9-8(2)15-11(10(9)6-12)13-7-14(3)4/h7H,5H2,1-4H3
InChIKeyBHNKFFXUJUJMNI-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.71
Rot. Bonds3

About N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide

N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 177255763) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide
PubChem CID177255763
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCCc1c(C)sc(N=CN(C)C)c1C#N
InChIInChI=1S/C11H15N3S/c1-5-9-8(2)15-11(10(9)6-12)13-7-14(3)4/h7H,5H2,1-4H3
InChIKeyBHNKFFXUJUJMNI-UHFFFAOYSA-N
XLogP2.71
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-ethyl-5-methyl-3-thiophenecarbonitrile
CID 4611800
N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N,N-dimethylimidoformamide
CID 6007543
N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-N,N-dipropylimidoformamide
CID 9608032
N'-(3-Cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-N,N-diethyl-formamidine
CID 9629838
N'-(3-Cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-N,N-diisobutyl-formamidine
CID 9670583
N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N,N-dimethylformimidamide
CID 2843646
N'-(3-cyano-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-N,N-dimethylformimidamide
CID 2999708
N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzo-thiophen-2-yl)-N,N-dimethylformimidamide
CID 4091112
N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N,N-dimethylimidoformamide
CID 6243091
2-[(1E)-2-(dimethylamino)-1-azavinyl]-4,5,6-trihydrocyclopenta[1,2-b]thiophene-3-carbonitrile
CID 9554683
N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-N,N-dimethylimidoformamide
CID 9586699
N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide
CID 45286064

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide (CID 177255763) is N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide is CCc1c(C)sc(N=CN(C)C)c1C#N.
What is the InChIKey of N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is BHNKFFXUJUJMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-5-9-8(2)15-11(10(9)6-12)13-7-14(3)4/h7H,5H2,1-4H3.
What are the key properties of N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 221.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 177255763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).