N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide

C10H20N2O4S — CID 82994785

IUPACN-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOCCNCCNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O4S/c1-16-6-5-11-3-4-12-10(13)9-2-7-17(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyPVSRMNKLFDWKLJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.23
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide

N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 82994785) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID82994785
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOCCNCCNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O4S/c1-16-6-5-11-3-4-12-10(13)9-2-7-17(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyPVSRMNKLFDWKLJ-UHFFFAOYSA-N
XLogP-1.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide
CID 110849249
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614
N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 82993999
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-(3-cyanopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64904761
1,1-dioxo-N-[(2,4,5-trimethoxyphenyl)methyl]thiolane-3-carboxamide
CID 18090481
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 103862378
(3R)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 94119516
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide (CID 82994785) is N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide is COCCNCCNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is PVSRMNKLFDWKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-16-6-5-11-3-4-12-10(13)9-2-7-17(14,15)8-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 82994785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).