N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide

C15H23N3O2S — CID 111044480

IUPACN'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
SMILESCOc1ccc(OC)c(CC/N=C(\N)N2CCSCC2)c1
InChIInChI=1S/C15H23N3O2S/c1-19-13-3-4-14(20-2)12(11-13)5-6-17-15(16)18-7-9-21-10-8-18/h3-4,11H,5-10H2,1-2H3,(H2,16,17)
InChIKeyDNIVRXJMJAKQSF-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.61
Rot. Bonds5

About N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide

N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 111044480) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID111044480
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
SMILESCOc1ccc(OC)c(CC/N=C(\N)N2CCSCC2)c1
InChIInChI=1S/C15H23N3O2S/c1-19-13-3-4-14(20-2)12(11-13)5-6-17-15(16)18-7-9-21-10-8-18/h3-4,11H,5-10H2,1-2H3,(H2,16,17)
InChIKeyDNIVRXJMJAKQSF-UHFFFAOYSA-N
XLogP1.61
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide 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

N'-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806545
N'-[2-(2,4-difluorophenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111801624
N'-[3-(3,5-dimethoxyphenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111975623
N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111818403
N'-[(3-bromo-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111095676
N'-[2-(4-butoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111049744
N'-[(4-chloro-2-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111806792
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111098959
1-cyano-2-[2-(2,5-dimethoxyphenyl)ethyl]guanidine
CID 142011662
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111034985
ethyl 4-[[N'-[2-(2,5-dimethoxyphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111044464
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide (CID 111044480) is N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide is COc1ccc(OC)c(CC/N=C(\N)N2CCSCC2)c1.
What is the InChIKey of N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is DNIVRXJMJAKQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-19-13-3-4-14(20-2)12(11-13)5-6-17-15(16)18-7-9-21-10-8-18/h3-4,11H,5-10H2,1-2H3,(H2,16,17).
What are the key properties of N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 309.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111044480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).