1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine

C8H13N3O3S — CID 65245066

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CC(N)C1
InChIInChI=1S/C8H13N3O3S/c1-5-8(6(2)14-10-5)15(12,13)11-3-7(9)4-11/h7H,3-4,9H2,1-2H3
InChIKeyLSZOYLCPPOZNBM-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.38
Rot. Bonds2

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine (PubChem CID 65245066) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
PubChem CID65245066
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CC(N)C1
InChIInChI=1S/C8H13N3O3S/c1-5-8(6(2)14-10-5)15(12,13)11-3-7(9)4-11/h7H,3-4,9H2,1-2H3
InChIKeyLSZOYLCPPOZNBM-UHFFFAOYSA-N
XLogP-0.38
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
(3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146040551
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
CID 110740099
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
(3aR,7aS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138381014
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
3,5-dimethyl-4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-1,2-oxazole
CID 126858185

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine (CID 65245066) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine is Cc1noc(C)c1S(=O)(=O)N1CC(N)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine?
The InChIKey is LSZOYLCPPOZNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-5-8(6(2)14-10-5)15(12,13)11-3-7(9)4-11/h7H,3-4,9H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine has a molecular weight of 231.28 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine is sourced from PubChem (CID 65245066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).