5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine

C9H14N2O3S — CID 104522878

IUPAC5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1C1CCCCS1(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-6-8(14-11-9(6)10)7-4-2-3-5-15(7,12)13/h7H,2-5H2,1H3,(H2,10,11)
InChIKeyHUCZYSUNILKNPK-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.21
Rot. Bonds1

About 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine

5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 104522878) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine
PubChem CID104522878
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1C1CCCCS1(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-6-8(14-11-9(6)10)7-4-2-3-5-15(7,12)13/h7H,2-5H2,1H3,(H2,10,11)
InChIKeyHUCZYSUNILKNPK-UHFFFAOYSA-N
XLogP1.21
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine (CID 104522878) is 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine is Cc1c(N)noc1C1CCCCS1(=O)=O.
What is the InChIKey of 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is HUCZYSUNILKNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-8(14-11-9(6)10)7-4-2-3-5-15(7,12)13/h7H,2-5H2,1H3,(H2,10,11).
What are the key properties of 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine?
5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 230.29 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothian-2-yl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 104522878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).