3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide

C12H21N3O3S — CID 48944709

IUPAC3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)N2CC(C)CC(C)C2)on1
InChIInChI=1S/C12H21N3O3S/c1-9-4-10(2)8-15(7-9)19(16,17)13-6-12-5-11(3)14-18-12/h5,9-10,13H,4,6-8H2,1-3H3
InChIKeyOQEKTSXUJINGTL-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.30
Rot. Bonds4

About 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide

3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide (PubChem CID 48944709) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
PubChem CID48944709
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)N2CC(C)CC(C)C2)on1
InChIInChI=1S/C12H21N3O3S/c1-9-4-10(2)8-15(7-9)19(16,17)13-6-12-5-11(3)14-18-12/h5,9-10,13H,4,6-8H2,1-3H3
InChIKeyOQEKTSXUJINGTL-UHFFFAOYSA-N
XLogP1.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
CID 48944715
(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 94064692
(3S,5S)-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide
CID 95761653
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one
CID 94087835
3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 94021516
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 79523252
(3R,5R)-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 52529765
3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386158
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-(1H-indol-2-ylmethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 51129646
(3S,4S)-4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 98542845

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide (CID 48944709) is 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide is Cc1cc(CNS(=O)(=O)N2CC(C)CC(C)C2)on1.
What is the InChIKey of 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is OQEKTSXUJINGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-4-10(2)8-15(7-9)19(16,17)13-6-12-5-11(3)14-18-12/h5,9-10,13H,4,6-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide?
3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 48944709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).