2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine

C8H17NO3S — CID 62336115

IUPAC2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine
SMILESCCNCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-2-9-4-5-12-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3
InChIKeyCGDHPRXJHAIRTR-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.20
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine

2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine (PubChem CID 62336115) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine
PubChem CID62336115
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine
SMILESCCNCCOC1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO3S/c1-2-9-4-5-12-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3
InChIKeyCGDHPRXJHAIRTR-UHFFFAOYSA-N
XLogP-0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.20
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

(3R)-3-propoxythiolane 1,1-dioxide
CID 51410713
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911
(3S)-3-hexadecoxythiolane 1,1-dioxide
CID 98117286
(3S)-3-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]oxyethoxy]ethoxy]thiolane 1,1-dioxide
CID 40549365
2-(1,1-dioxothiolan-3-yl)oxyethyl-trimethylazanium iodide
CID 12045039
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[(3S)-1,1-dioxothiolan-3-yl]oxypropyl]formamide
CID 99976860
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide
CID 99976873
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 64728846
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
N-[[3,5-dibromo-4-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]ethanamine
CID 107742118
(3S)-3-[(2R)-2-ethylhexoxy]thiolane 1,1-dioxide
CID 51410709

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine (CID 62336115) is 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine is CCNCCOC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine?
The InChIKey is CGDHPRXJHAIRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-9-4-5-12-8-3-6-13(10,11)7-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine?
2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine has a molecular weight of 207.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine is sourced from PubChem (CID 62336115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).