[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide

C12H21N3O3S — CID 95627720

IUPAC[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide
SMILESCc1nc(CN2CCC[C@H](CS(N)(=O)=O)C2)oc1C
InChIInChI=1S/C12H21N3O3S/c1-9-10(2)18-12(14-9)7-15-5-3-4-11(6-15)8-19(13,16)17/h11H,3-8H2,1-2H3,(H2,13,16,17)/t11-/m0/s1
InChIKeyWAAQCNDKJPZDEW-NSHDSACASA-N
MW287.38 g/mol
LogP0.79
Rot. Bonds4

About [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide

[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide (PubChem CID 95627720) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide
PubChem CID95627720
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide
SMILESCc1nc(CN2CCC[C@H](CS(N)(=O)=O)C2)oc1C
InChIInChI=1S/C12H21N3O3S/c1-9-10(2)18-12(14-9)7-15-5-3-4-11(6-15)8-19(13,16)17/h11H,3-8H2,1-2H3,(H2,13,16,17)/t11-/m0/s1
InChIKeyWAAQCNDKJPZDEW-NSHDSACASA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61204064
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 81490315
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918697
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114180494
3-(2-methylpropyl)-5-[[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313120
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpiperidin-4-amine;dihydrochloride
CID 119923701

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide (CID 95627720) is [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide is Cc1nc(CN2CCC[C@H](CS(N)(=O)=O)C2)oc1C.
What is the InChIKey of [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is WAAQCNDKJPZDEW-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-10(2)18-12(14-9)7-15-5-3-4-11(6-15)8-19(13,16)17/h11H,3-8H2,1-2H3,(H2,13,16,17)/t11-/m0/s1.
What are the key properties of [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide?
[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 95627720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).