2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone

C10H20N2O2S — CID 79282673

IUPAC2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
SMILESCOCCNCC(=O)N1CCCSCC1
InChIInChI=1S/C10H20N2O2S/c1-14-6-3-11-9-10(13)12-4-2-7-15-8-5-12/h11H,2-9H2,1H3
InChIKeyYVOVQSXAAKWBFH-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.19
Rot. Bonds5

About 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone

2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone (PubChem CID 79282673) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
PubChem CID79282673
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
SMILESCOCCNCC(=O)N1CCCSCC1
InChIInChI=1S/C10H20N2O2S/c1-14-6-3-11-9-10(13)12-4-2-7-15-8-5-12/h11H,2-9H2,1H3
InChIKeyYVOVQSXAAKWBFH-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
2-(2-methoxyethylamino)-1-(2-methylthiomorpholin-4-yl)ethanone
CID 115739175
N-(2-methoxyethyl)-1,4-thiazepane-4-carbothioamide
CID 115587666
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119734708
1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea
CID 119750507
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone (CID 79282673) is 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone is COCCNCC(=O)N1CCCSCC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone?
The InChIKey is YVOVQSXAAKWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-14-6-3-11-9-10(13)12-4-2-7-15-8-5-12/h11H,2-9H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone?
2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone has a molecular weight of 232.35 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone is sourced from PubChem (CID 79282673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).