N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide

C15H22N4O3S — CID 111083219

IUPACN'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)N1CCOCC1
InChIInChI=1S/C15H22N4O3S/c16-15(18-8-10-22-11-9-18)17-6-12-23(20,21)19-7-5-13-3-1-2-4-14(13)19/h1-4H,5-12H2,(H2,16,17)
InChIKeyVUJDXUMQXHXBFG-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.03
Rot. Bonds4

About N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide

N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide (PubChem CID 111083219) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
PubChem CID111083219
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)N1CCOCC1
InChIInChI=1S/C15H22N4O3S/c16-15(18-8-10-22-11-9-18)17-6-12-23(20,21)19-7-5-13-3-1-2-4-14(13)19/h1-4H,5-12H2,(H2,16,17)
InChIKeyVUJDXUMQXHXBFG-UHFFFAOYSA-N
XLogP0.03
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.03
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'}

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Related Compounds

N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
1-cyclopropyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-methylguanidine
CID 110030617
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
CID 111083217
N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide
CID 111813018
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721459
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111055482
N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
CID 111067772
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111083238
N'-(2-ethylsulfonylethyl)morpholine-4-carboximidamide
CID 111100374
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110918358
N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]morpholine-4-carboximidamide
CID 111088775

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide (CID 111083219) is N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide is N/C(=N\CCS(=O)(=O)N1CCc2ccccc21)N1CCOCC1.
What is the InChIKey of N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide?
The InChIKey is VUJDXUMQXHXBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c16-15(18-8-10-22-11-9-18)17-6-12-23(20,21)19-7-5-13-3-1-2-4-14(13)19/h1-4H,5-12H2,(H2,16,17).
What are the key properties of N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide?
N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide has a molecular weight of 338.43 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111083219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).