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

C12H21N3O3S — CID 95273531

IUPACN-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1cc(CN2CCCC[C@H]2CNS(C)(=O)=O)no1
InChIInChI=1S/C12H21N3O3S/c1-10-7-11(14-18-10)9-15-6-4-3-5-12(15)8-13-19(2,16)17/h7,12-13H,3-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyLLAYFMXVZLYVDV-LBPRGKRZSA-N
MW287.38 g/mol
LogP0.89
Rot. Bonds5

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

N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 95273531) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID95273531
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1cc(CN2CCCC[C@H]2CNS(C)(=O)=O)no1
InChIInChI=1S/C12H21N3O3S/c1-10-7-11(14-18-10)9-15-6-4-3-5-12(15)8-13-19(2,16)17/h7,12-13H,3-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyLLAYFMXVZLYVDV-LBPRGKRZSA-N
XLogP0.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 47053532
N-[[(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51937010
N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 33416941
2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549497
N-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 47280772
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide
CID 95281182
3-[[2-[(3-ethyl-4-prop-1-en-2-ylphenoxy)methyl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 174197526
N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
CID 95154417
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]cyclopentanesulfonamide
CID 110310834

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide (CID 95273531) is N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide is Cc1cc(CN2CCCC[C@H]2CNS(C)(=O)=O)no1.
What is the InChIKey of N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is LLAYFMXVZLYVDV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10-7-11(14-18-10)9-15-6-4-3-5-12(15)8-13-19(2,16)17/h7,12-13H,3-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95273531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).