2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

C15H23N3O4S — CID 94397675

IUPAC2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc([C@H]2CCCN2C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)on1
InChIInChI=1S/C15H23N3O4S/c1-11-8-14(22-16-11)13-4-3-6-18(13)15(19)9-17(2)12-5-7-23(20,21)10-12/h8,12-13H,3-7,9-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyWIPMENPRYPGLQS-CHWSQXEVSA-N
MW341.43 g/mol
LogP0.77
Rot. Bonds4

About 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 94397675) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID94397675
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc([C@H]2CCCN2C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)on1
InChIInChI=1S/C15H23N3O4S/c1-11-8-14(22-16-11)13-4-3-6-18(13)15(19)9-17(2)12-5-7-23(20,21)10-12/h8,12-13H,3-7,9-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyWIPMENPRYPGLQS-CHWSQXEVSA-N
XLogP0.77
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 94397674
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56819155
2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214877
2-(cyclopentylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963976
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2S)-2-phenylazetidin-1-yl]ethanone
CID 94468019
ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 60976035
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 127477504
2-(1,3-benzodioxol-5-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56817847
2-(cyclopropylmethylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 54873423
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
6-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]hexan-1-one
CID 54873356

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 94397675) is 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1cc([C@H]2CCCN2C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)on1.
What is the InChIKey of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is WIPMENPRYPGLQS-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-8-14(22-16-11)13-4-3-6-18(13)15(19)9-17(2)12-5-7-23(20,21)10-12/h8,12-13H,3-7,9-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 341.43 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94397675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).