[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine

C9H14N2O3S — CID 105488145

IUPAC[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1noc(C2CCS(=O)(=O)C2)c1CN
InChIInChI=1S/C9H14N2O3S/c1-6-8(4-10)9(14-11-6)7-2-3-15(12,13)5-7/h7H,2-5,10H2,1H3
InChIKeyGCWUBDKKFGDZMQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.34
Rot. Bonds2

About [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine

[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine (PubChem CID 105488145) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine
PubChem CID105488145
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine
SMILESCc1noc(C2CCS(=O)(=O)C2)c1CN
InChIInChI=1S/C9H14N2O3S/c1-6-8(4-10)9(14-11-6)7-2-3-15(12,13)5-7/h7H,2-5,10H2,1H3
InChIKeyGCWUBDKKFGDZMQ-UHFFFAOYSA-N
XLogP0.34
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 115337336
2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 113289879
[3-methyl-5-(oxan-2-yl)-1,2-oxazol-4-yl]methanamine
CID 105449979
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 93420640
[2-(1,1-dioxothiolan-3-yl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 115037326
2-(5-cyclopentyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 105462752
[4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 115335998
3-(3-chloro-1,2,4-oxadiazol-5-yl)thiolane 1,1-dioxide
CID 112572058
3-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 115337078
3-[5-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115048591
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115336062

Frequently Asked Questions

What is the IUPAC name of [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine (CID 105488145) is [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine is Cc1noc(C2CCS(=O)(=O)C2)c1CN.
What is the InChIKey of [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine?
The InChIKey is GCWUBDKKFGDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-8(4-10)9(14-11-6)7-2-3-15(12,13)5-7/h7H,2-5,10H2,1H3.
What are the key properties of [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine?
[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine has a molecular weight of 230.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 105488145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).