4-morpholin-4-yl-1-benzothiophene-2-carboximidamide

C13H15N3OS — CID 56977153

IUPAC4-morpholin-4-yl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(N3CCOCC3)cccc2s1
InChIInChI=1S/C13H15N3OS/c14-13(15)12-8-9-10(2-1-3-11(9)18-12)16-4-6-17-7-5-16/h1-3,8H,4-7H2,(H3,14,15)
InChIKeyDXLRQLWJYKZVAJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.02
Rot. Bonds2

About 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide

4-morpholin-4-yl-1-benzothiophene-2-carboximidamide (PubChem CID 56977153) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name4-morpholin-4-yl-1-benzothiophene-2-carboximidamide
PubChem CID56977153
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-morpholin-4-yl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(N3CCOCC3)cccc2s1
InChIInChI=1S/C13H15N3OS/c14-13(15)12-8-9-10(2-1-3-11(9)18-12)16-4-6-17-7-5-16/h1-3,8H,4-7H2,(H3,14,15)
InChIKeyDXLRQLWJYKZVAJ-UHFFFAOYSA-N
XLogP2.02
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
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

2-amino-6-morpholin-4-ylbenzenecarboximidamide
CID 143704993
4-propyl-1-benzothiophene-2-carboximidamide
CID 19007628
4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide
CID 54430955
4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride
CID 67850388
4-bromo-5-methyl-1-benzothiophene-2-carboximidamide;dodecahydrate;hydrochloride
CID 19007357
4-methyl-2-(1,4-oxazepan-4-yl)benzenecarboximidamide
CID 62973944
4-(2-hydroxyphenyl)-1-benzothiophene-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161247886
4-(4-propylpiperazin-1-yl)-1-benzothiophene-2-carboxylic acid
CID 57323023
2,6-dimethyl-4-morpholin-4-ylpyridine-3-carboximidamide
CID 81054109
4-(4-bromo-1-benzothiophen-2-yl)morpholine
CID 129160692
4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
benzo[f][1]benzothiole-2-carboximidamide;hydrochloride
CID 19007393

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide?
The IUPAC name of 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide (CID 56977153) is 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2c(N3CCOCC3)cccc2s1.
What is the InChIKey of 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide?
The InChIKey is DXLRQLWJYKZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-13(15)12-8-9-10(2-1-3-11(9)18-12)16-4-6-17-7-5-16/h1-3,8H,4-7H2,(H3,14,15).
What are the key properties of 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide?
4-morpholin-4-yl-1-benzothiophene-2-carboximidamide has a molecular weight of 261.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 56977153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).