N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide

C11H13N3S — CID 2999708

IUPACN'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C11H13N3S/c1-14(2)7-13-11-9(6-12)8-4-3-5-10(8)15-11/h7H,3-5H2,1-2H3
InChIKeyLMUYFGDTLHZRRW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.33
Rot. Bonds2

About N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide

N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 2999708) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide
PubChem CID2999708
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1sc2c(c1C#N)CCC2
InChIInChI=1S/C11H13N3S/c1-14(2)7-13-11-9(6-12)8-4-3-5-10(8)15-11/h7H,3-5H2,1-2H3
InChIKeyLMUYFGDTLHZRRW-UHFFFAOYSA-N
XLogP2.33
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.33
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'}

Analyze N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 258182
CID 258182
CID 145962271
CID 145962271
CID 6007543
CID 6007543
CID 9608032
CID 9608032
CID 9629838
CID 9629838
CID 2843646
CID 2843646
CID 4091112
CID 4091112
CID 6243091
CID 6243091
CID 9554683
CID 9554683
CID 9586699
CID 9586699
CID 45286064
CID 45286064
CID 75110449
CID 75110449

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide (CID 2999708) is N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1sc2c(c1C#N)CCC2.
What is the InChIKey of N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is LMUYFGDTLHZRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-14(2)7-13-11-9(6-12)8-4-3-5-10(8)15-11/h7H,3-5H2,1-2H3.
What are the key properties of N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 219.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 2999708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).