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

C12H21N3O3S — CID 47185640

IUPACN,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)N2CCCCC2C)no1
InChIInChI=1S/C12H21N3O3S/c1-10-6-4-5-7-15(10)19(16,17)14(3)9-12-8-11(2)18-13-12/h8,10H,4-7,9H2,1-3H3
InChIKeyJGOUJKIERRPMOO-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.53
Rot. Bonds4

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

N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide (PubChem CID 47185640) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide
PubChem CID47185640
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)N2CCCCC2C)no1
InChIInChI=1S/C12H21N3O3S/c1-10-6-4-5-7-15(10)19(16,17)14(3)9-12-8-11(2)18-13-12/h8,10H,4-7,9H2,1-3H3
InChIKeyJGOUJKIERRPMOO-UHFFFAOYSA-N
XLogP1.53
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929395
(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide
CID 94812189
(5-methyl-1,2-oxazol-3-yl)methyl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 9061168
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide
CID 35311721
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
N-ethyl-N,2-dimethylpyrrolidine-1-sulfonamide
CID 130840821
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 47729092
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110714543
N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 95273531

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide (CID 47185640) is N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide is Cc1cc(CN(C)S(=O)(=O)N2CCCCC2C)no1.
What is the InChIKey of N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is JGOUJKIERRPMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10-6-4-5-7-15(10)19(16,17)14(3)9-12-8-11(2)18-13-12/h8,10H,4-7,9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide?
N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 47185640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).