1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide

C12H21N3O3S — CID 171913674

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide
SMILESCc1noc(C)c1CCN1CCC(S(N)(=O)=O)CC1
InChIInChI=1S/C12H21N3O3S/c1-9-12(10(2)18-14-9)5-8-15-6-3-11(4-7-15)19(13,16)17/h11H,3-8H2,1-2H3,(H2,13,16,17)
InChIKeyLYQGZOOJCZRIMC-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.59
Rot. Bonds4

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide (PubChem CID 171913674) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide
PubChem CID171913674
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide
SMILESCc1noc(C)c1CCN1CCC(S(N)(=O)=O)CC1
InChIInChI=1S/C12H21N3O3S/c1-9-12(10(2)18-14-9)5-8-15-6-3-11(4-7-15)19(13,16)17/h11H,3-8H2,1-2H3,(H2,13,16,17)
InChIKeyLYQGZOOJCZRIMC-UHFFFAOYSA-N
XLogP0.59
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine
CID 95982249
1-[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 97417122
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154583218
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 37362654
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240480
7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176505485
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421365
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 171915775
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 119632114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide (CID 171913674) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide is Cc1noc(C)c1CCN1CCC(S(N)(=O)=O)CC1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide?
The InChIKey is LYQGZOOJCZRIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-12(10(2)18-14-9)5-8-15-6-3-11(4-7-15)19(13,16)17/h11H,3-8H2,1-2H3,(H2,13,16,17).
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-4-sulfonamide is sourced from PubChem (CID 171913674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).