2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine

C8H14N2O2S — CID 58684565

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine
SMILESCc1noc(C)c1CS(=O)CCN
InChIInChI=1S/C8H14N2O2S/c1-6-8(7(2)12-10-6)5-13(11)4-3-9/h3-5,9H2,1-2H3
InChIKeyUELLJVUCGGUGRN-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.50
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine (PubChem CID 58684565) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine
PubChem CID58684565
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine
SMILESCc1noc(C)c1CS(=O)CCN
InChIInChI=1S/C8H14N2O2S/c1-6-8(7(2)12-10-6)5-13(11)4-3-9/h3-5,9H2,1-2H3
InChIKeyUELLJVUCGGUGRN-UHFFFAOYSA-N
XLogP0.50
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine 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

N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide
CID 95599370
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinylmethyl]-2,4,6-trimethylphenyl]ethanone
CID 56811728
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 122240201
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole chloride
CID 22500933
1-(3-aminopropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 96603384
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine
CID 82181181
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide
CID 82155360
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78989893
N-(1-amino-2-methylpropan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119522371

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine (CID 58684565) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine is Cc1noc(C)c1CS(=O)CCN.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine?
The InChIKey is UELLJVUCGGUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6-8(7(2)12-10-6)5-13(11)4-3-9/h3-5,9H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine has a molecular weight of 202.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine is sourced from PubChem (CID 58684565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).