4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol

C7H15NO4S — CID 130605436

IUPAC4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol
SMILESCONCC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO4S/c1-12-8-6-7(9)2-4-13(10,11)5-3-7/h8-9H,2-6H2,1H3
InChIKeyZGRCIIRXXKGUMN-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.92
Rot. Bonds3

About 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol

4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol (PubChem CID 130605436) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol.

Molecular Properties

Compound Name4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol
PubChem CID130605436
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol
SMILESCONCC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO4S/c1-12-8-6-7(9)2-4-13(10,11)5-3-7/h8-9H,2-6H2,1H3
InChIKeyZGRCIIRXXKGUMN-UHFFFAOYSA-N
XLogP-0.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol?
The IUPAC name of 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol (CID 130605436) is 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol.
What is the SMILES notation for 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol?
The canonical SMILES for 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol is CONCC1(O)CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol?
The InChIKey is ZGRCIIRXXKGUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-12-8-6-7(9)2-4-13(10,11)5-3-7/h8-9H,2-6H2,1H3.
What are the key properties of 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol?
4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol has a molecular weight of 209.27 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(methoxyamino)methyl]-1,1-dioxothian-4-ol is sourced from PubChem (CID 130605436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).