N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide

C9H17NO4S — CID 110849249

IUPACN-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide
SMILESCOCCNC(=O)C1CCCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S/c1-14-5-4-10-9(11)8-3-2-6-15(12,13)7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyMWFRKLWONPZPIA-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.43
Rot. Bonds4

About N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide

N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide (PubChem CID 110849249) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide
PubChem CID110849249
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC NameN-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide
SMILESCOCCNC(=O)C1CCCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S/c1-14-5-4-10-9(11)8-3-2-6-15(12,13)7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyMWFRKLWONPZPIA-UHFFFAOYSA-N
XLogP-0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.43
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

N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 82994785
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-methoxyethyl)thiourea
CID 115578358
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
CID 43086730
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide
CID 141007799
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
N-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110940168
1-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)thiourea
CID 17373263
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide (CID 110849249) is N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide is COCCNC(=O)C1CCCS(=O)(=O)C1.
What is the InChIKey of N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide?
The InChIKey is MWFRKLWONPZPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-5-4-10-9(11)8-3-2-6-15(12,13)7-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide?
N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide has a molecular weight of 235.30 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide is sourced from PubChem (CID 110849249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).