3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide

C12H19N3O6S2 — CID 110295831

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O6S2/c1-8-12(9(2)21-15-8)23(19,20)13-5-3-11(16)14-10-4-6-22(17,18)7-10/h10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyCDDJUEPFXKHKKD-UHFFFAOYSA-N
MW365.43 g/mol
LogP-0.74
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 110295831) has the molecular formula C12H19N3O6S2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID110295831
Molecular FormulaC12H19N3O6S2
Molecular Weight365.43 g/mol
Exact Mass365.07
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O6S2/c1-8-12(9(2)21-15-8)23(19,20)13-5-3-11(16)14-10-4-6-22(17,18)7-10/h10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyCDDJUEPFXKHKKD-UHFFFAOYSA-N
XLogP-0.74
TPSA135.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 110295833
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 17476150
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9042128
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95144868
N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 110407095
N-(1,1-dioxothiolan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 56684941
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38017187
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide (CID 110295831) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide is Cc1noc(C)c1S(=O)(=O)NCCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is CDDJUEPFXKHKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6S2/c1-8-12(9(2)21-15-8)23(19,20)13-5-3-11(16)14-10-4-6-22(17,18)7-10/h10,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 110295831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).