4-methoxy-1,1-dioxothiolan-3-amine

C5H11NO3S — CID 75485522

IUPAC4-methoxy-1,1-dioxothiolan-3-amine
SMILESCOC1CS(=O)(=O)CC1N
InChIInChI=1S/C5H11NO3S/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3
InChIKeyRGCPQFSZQKZLLD-UHFFFAOYSA-N
MW165.21 g/mol
LogP-1.24
Rot. Bonds1

About 4-methoxy-1,1-dioxothiolan-3-amine

4-methoxy-1,1-dioxothiolan-3-amine (PubChem CID 75485522) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-methoxy-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name4-methoxy-1,1-dioxothiolan-3-amine
PubChem CID75485522
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name4-methoxy-1,1-dioxothiolan-3-amine
SMILESCOC1CS(=O)(=O)CC1N
InChIInChI=1S/C5H11NO3S/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3
InChIKeyRGCPQFSZQKZLLD-UHFFFAOYSA-N
XLogP-1.24
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,1-dioxothiolan-3-amine?
The IUPAC name of 4-methoxy-1,1-dioxothiolan-3-amine (CID 75485522) is 4-methoxy-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 4-methoxy-1,1-dioxothiolan-3-amine?
The canonical SMILES for 4-methoxy-1,1-dioxothiolan-3-amine is COC1CS(=O)(=O)CC1N.
What is the InChIKey of 4-methoxy-1,1-dioxothiolan-3-amine?
The InChIKey is RGCPQFSZQKZLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-methoxy-1,1-dioxothiolan-3-amine?
4-methoxy-1,1-dioxothiolan-3-amine has a molecular weight of 165.21 g/mol, XLogP of -1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 75485522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).