2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine

C11H23NO4S — CID 55107173

IUPAC2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(CCOC)CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO4S/c1-15-6-3-11(9-12-5-7-16-2)4-8-17(13,14)10-11/h12H,3-10H2,1-2H3
InChIKeyXVRWCVPAYBIPPN-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.06
Rot. Bonds8

About 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine

2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine (PubChem CID 55107173) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
PubChem CID55107173
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(CCOC)CCS(=O)(=O)C1
InChIInChI=1S/C11H23NO4S/c1-15-6-3-11(9-12-5-7-16-2)4-8-17(13,14)10-11/h12H,3-10H2,1-2H3
InChIKeyXVRWCVPAYBIPPN-UHFFFAOYSA-N
XLogP0.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.06
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine (CID 55107173) is 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine is COCCNCC1(CCOC)CCS(=O)(=O)C1.
What is the InChIKey of 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine?
The InChIKey is XVRWCVPAYBIPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-15-6-3-11(9-12-5-7-16-2)4-8-17(13,14)10-11/h12H,3-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine?
2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 55107173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).