N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide

C11H15NOS — CID 89241502

IUPACN-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1=CCC(S)C=C1
InChIInChI=1S/C11H15NOS/c1-12(11(13)8-2-3-8)9-4-6-10(14)7-5-9/h4-6,8,10,14H,2-3,7H2,1H3
InChIKeyWSBCUHHMDSGFQU-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.00
Rot. Bonds2

About N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide

N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide (PubChem CID 89241502) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide
PubChem CID89241502
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1=CCC(S)C=C1
InChIInChI=1S/C11H15NOS/c1-12(11(13)8-2-3-8)9-4-6-10(14)7-5-9/h4-6,8,10,14H,2-3,7H2,1H3
InChIKeyWSBCUHHMDSGFQU-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide (CID 89241502) is N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide is CN(C(=O)C1CC1)C1=CCC(S)C=C1.
What is the InChIKey of N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide?
The InChIKey is WSBCUHHMDSGFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-12(11(13)8-2-3-8)9-4-6-10(14)7-5-9/h4-6,8,10,14H,2-3,7H2,1H3.
What are the key properties of N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide?
N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide has a molecular weight of 209.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-sulfanylcyclohexa-1,5-dien-1-yl)cyclopropanecarboxamide is sourced from PubChem (CID 89241502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).