N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide

C16H22N4S — CID 111808934

IUPACN'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESCc1cccc2c(CC/N=C(\N)N3CCSCC3)c[nH]c12
InChIInChI=1S/C16H22N4S/c1-12-3-2-4-14-13(11-19-15(12)14)5-6-18-16(17)20-7-9-21-10-8-20/h2-4,11,19H,5-10H2,1H3,(H2,17,18)
InChIKeyGWTQHGAFHPLHBV-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.38
Rot. Bonds3

About N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide

N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 111808934) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID111808934
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESCc1cccc2c(CC/N=C(\N)N3CCSCC3)c[nH]c12
InChIInChI=1S/C16H22N4S/c1-12-3-2-4-14-13(11-19-15(12)14)5-6-18-16(17)20-7-9-21-10-8-20/h2-4,11,19H,5-10H2,1H3,(H2,17,18)
InChIKeyGWTQHGAFHPLHBV-UHFFFAOYSA-N
XLogP2.38
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[2-(7-methyl-1H-indol-3-yl)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-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074
1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111464833
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
N'-[2-(4-methylphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111814110
2-(7-methyl-1H-indol-3-yl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)acetamide
CID 75373208
N'-[2-(1H-indol-3-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919550
N'-[2-(2,4,6-trimethylphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111060663
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111808947
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111808945
N'-[2-(2,4-difluorophenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111801624
N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111044480

Frequently Asked Questions

What is the IUPAC name of N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide (CID 111808934) is N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide is Cc1cccc2c(CC/N=C(\N)N3CCSCC3)c[nH]c12.
What is the InChIKey of N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is GWTQHGAFHPLHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-12-3-2-4-14-13(11-19-15(12)14)5-6-18-16(17)20-7-9-21-10-8-20/h2-4,11,19H,5-10H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 302.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111808934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).