(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one

C15H24N2O4S — CID 94828313

IUPAC(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one
SMILESCc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)no1
InChIInChI=1S/C15H24N2O4S/c1-10-5-11(2)8-17(7-10)15(18)13(4)22(19,20)9-14-6-12(3)21-16-14/h6,10-11,13H,5,7-9H2,1-4H3/t10-,11-,13-/m1/s1
InChIKeyJGAGXJZEFLHMCZ-NQBHXWOUSA-N
MW328.43 g/mol
LogP1.79
Rot. Bonds4

About (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one

(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one (PubChem CID 94828313) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one
PubChem CID94828313
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one
SMILESCc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)no1
InChIInChI=1S/C15H24N2O4S/c1-10-5-11(2)8-17(7-10)15(18)13(4)22(19,20)9-14-6-12(3)21-16-14/h6,10-11,13H,5,7-9H2,1-4H3/t10-,11-,13-/m1/s1
InChIKeyJGAGXJZEFLHMCZ-NQBHXWOUSA-N
XLogP1.79
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 45815272
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CID 53581998
(4aR*,7aS*)-1-(3-methylbutanoyl)-4-[(5-methyl-3-isoxazolyl)carbonyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70744739
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 40167821
3-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-piperidin-1-ylpropan-1-one
CID 45822686
N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
CID 45822913
N-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 45891932
N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
CID 47207681
N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
CID 56822256
(2,3-Dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 72008921
3-cyclopentylsulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpropanamide
CID 75461233
1-[(3,5-Dimethylisoxazol-4-yl)methyl]-3-[(methylsulfonyl)methyl]piperidine
CID 77093852

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one?
The IUPAC name of (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one (CID 94828313) is (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one.
What is the SMILES notation for (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one?
The canonical SMILES for (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one is Cc1cc(CS(=O)(=O)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)no1.
What is the InChIKey of (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one?
The InChIKey is JGAGXJZEFLHMCZ-NQBHXWOUSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-10-5-11(2)8-17(7-10)15(18)13(4)22(19,20)9-14-6-12(3)21-16-14/h6,10-11,13H,5,7-9H2,1-4H3/t10-,11-,13-/m1/s1.
What are the key properties of (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one?
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one has a molecular weight of 328.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propan-1-one is sourced from PubChem (CID 94828313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).