2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide

C15H26N4O2S3 — CID 109486104

IUPAC2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCCNS(=O)(=O)c2ccc(C)s2)CCS1
InChIInChI=1S/C15H26N4O2S3/c1-4-13-11-19(9-10-22-13)15(16-3)17-7-8-18-24(20,21)14-6-5-12(2)23-14/h5-6,13,18H,4,7-11H2,1-3H3,(H,16,17)
InChIKeyZFSLSIJPQVVODJ-UHFFFAOYSA-N
MW390.60 g/mol
LogP1.74
Rot. Bonds6

About 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide

2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide (PubChem CID 109486104) has the molecular formula C15H26N4O2S3 and a molecular weight of 390.60 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide
PubChem CID109486104
Molecular FormulaC15H26N4O2S3
Molecular Weight390.60 g/mol
Exact Mass390.12
IUPAC Name2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide
SMILESCCC1CN(/C(=N/C)NCCNS(=O)(=O)c2ccc(C)s2)CCS1
InChIInChI=1S/C15H26N4O2S3/c1-4-13-11-19(9-10-22-13)15(16-3)17-7-8-18-24(20,21)14-6-5-12(2)23-14/h5-6,13,18H,4,7-11H2,1-3H3,(H,16,17)
InChIKeyZFSLSIJPQVVODJ-UHFFFAOYSA-N
XLogP1.74
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-ethyl-N'-methyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]thiomorpholine-4-carboximidamide
CID 109486106
N-[2-(benzenesulfonyl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109486236
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109485455
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 109484756
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 109487246
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109484755
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 109487245
2-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109486328
2-ethyl-N'-methyl-N-[(4-methylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487155
2-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486327
2-ethyl-N'-methyl-N-(2-methyl-2-methylsulfonylpropyl)thiomorpholine-4-carboximidamide
CID 109485352

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide (CID 109486104) is 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide is CCC1CN(/C(=N/C)NCCNS(=O)(=O)c2ccc(C)s2)CCS1.
What is the InChIKey of 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is ZFSLSIJPQVVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S3/c1-4-13-11-19(9-10-22-13)15(16-3)17-7-8-18-24(20,21)14-6-5-12(2)23-14/h5-6,13,18H,4,7-11H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide?
2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 390.60 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109486104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).