1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine

C10H16N2O3S — CID 115085576

IUPAC1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCCS(=O)(=O)C2)o1
InChIInChI=1S/C10H16N2O3S/c1-7(11)9-5-12-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyGPNDWAHDCHJECN-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.99
Rot. Bonds2

About 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine

1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115085576) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115085576
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCCS(=O)(=O)C2)o1
InChIInChI=1S/C10H16N2O3S/c1-7(11)9-5-12-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyGPNDWAHDCHJECN-UHFFFAOYSA-N
XLogP0.99
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084978
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084987
2-(2-cyclohexyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087448
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090326
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082669
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]-N-methylmethanamine
CID 115084990
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]ethanone
CID 115082603
2-(2-cyclobutyl-1,3-oxazol-5-yl)propan-1-ol
CID 115087422
2-(2-cyclopentyl-1,3-oxazol-5-yl)propan-1-ol
CID 115087436
1-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114706024
1-(1,1-dioxothian-3-yl)ethanamine
CID 66436765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine (CID 115085576) is 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine is CC(N)c1cnc(C2CCCS(=O)(=O)C2)o1.
What is the InChIKey of 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is GPNDWAHDCHJECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7(11)9-5-12-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8H,2-4,6,11H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine?
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 244.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115085576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).