[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine

C10H21NO4S — CID 78963284

IUPAC[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
SMILESCOCCOCCC1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO4S/c1-14-5-6-15-4-2-10(8-11)3-7-16(12,13)9-10/h2-9,11H2,1H3
InChIKeyAQARLYPUJXSRPZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.20
Rot. Bonds7

About [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine

[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 78963284) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
PubChem CID78963284
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
SMILESCOCCOCCC1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO4S/c1-14-5-6-15-4-2-10(8-11)3-7-16(12,13)9-10/h2-9,11H2,1H3
InChIKeyAQARLYPUJXSRPZ-UHFFFAOYSA-N
XLogP-0.20
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine
CID 115025405
N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
CID 115003005
[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 104566815
1-methoxy-2-(2-methoxyethoxy)ethane;thiolane 1,1-dioxide
CID 70485099
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
N-[[3-(3-methoxypropyl)-1,1-dioxothiolan-3-yl]methyl]propan-1-amine
CID 55106738
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
CID 104568568
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine
CID 104568555
[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
CID 103415092
[3-[(4-bromophenyl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 78992045

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine (CID 78963284) is [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine is COCCOCCC1(CN)CCS(=O)(=O)C1.
What is the InChIKey of [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is AQARLYPUJXSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-14-5-6-15-4-2-10(8-11)3-7-16(12,13)9-10/h2-9,11H2,1H3.
What are the key properties of [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine?
[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 251.35 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 78963284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).