N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide

C16H23IN4S — CID 111030169

IUPACN'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCn1ccc2ccccc21)N1CCSCC1
InChIInChI=1S/C16H22N4S.HI/c17-16(20-10-12-21-13-11-20)18-7-3-8-19-9-6-14-4-1-2-5-15(14)19;/h1-2,4-6,9H,3,7-8,10-13H2,(H2,17,18);1H
InChIKeyDAUUPAWJAMXLQL-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.01
Rot. Bonds4

About N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide

N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 111030169) has the molecular formula C16H23IN4S and a molecular weight of 430.36 g/mol. Its IUPAC name is N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID111030169
Molecular FormulaC16H23IN4S
Molecular Weight430.36 g/mol
Exact Mass430.07
IUPAC NameN'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCn1ccc2ccccc21)N1CCSCC1
InChIInChI=1S/C16H22N4S.HI/c17-16(20-10-12-21-13-11-20)18-7-3-8-19-9-6-14-4-1-2-5-15(14)19;/h1-2,4-6,9H,3,7-8,10-13H2,(H2,17,18);1H
InChIKeyDAUUPAWJAMXLQL-UHFFFAOYSA-N
XLogP3.01
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
N'-[4-(2-methylimidazol-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 111817882
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
N'-[3-(N-ethylanilino)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111035180
N'-(2-naphthalen-1-yloxyethyl)thiomorpholine-4-carboximidamide
CID 111074015
N'-[4-(2-bromophenyl)sulfanylbutyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111808753
N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111032891
3-indol-1-ylpropan-1-amine
CID 2512786
2-(3-indol-1-ylpropyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111030155
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiomorpholine-4-carboximidamide
CID 120973193

Frequently Asked Questions

What is the IUPAC name of N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide (CID 111030169) is N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCn1ccc2ccccc21)N1CCSCC1.
What is the InChIKey of N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is DAUUPAWJAMXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S.HI/c17-16(20-10-12-21-13-11-20)18-7-3-8-19-9-6-14-4-1-2-5-15(14)19;/h1-2,4-6,9H,3,7-8,10-13H2,(H2,17,18);1H.
What are the key properties of N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide?
N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 430.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-indol-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111030169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).