N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide

C12H21N3O3S — CID 106388979

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)CC2CCCNC2)o1
InChIInChI=1S/C12H21N3O3S/c1-9-6-14-12(18-9)10(2)15-19(16,17)8-11-4-3-5-13-7-11/h6,10-11,13,15H,3-5,7-8H2,1-2H3
InChIKeyMXFNZJXDGGYPQR-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.96
Rot. Bonds5

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 106388979) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID106388979
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)CC2CCCNC2)o1
InChIInChI=1S/C12H21N3O3S/c1-9-6-14-12(18-9)10(2)15-19(16,17)8-11-4-3-5-13-7-11/h6,10-11,13,15H,3-5,7-8H2,1-2H3
InChIKeyMXFNZJXDGGYPQR-UHFFFAOYSA-N
XLogP0.96
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 64641694
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-piperidin-4-ylpropanamide
CID 106388288
N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972113
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107584272
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972682
5-methyl-2-(piperidin-3-ylmethylsulfonyl)pyridine;hydrochloride
CID 71638644
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide (CID 106388979) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide is Cc1cnc(C(C)NS(=O)(=O)CC2CCCNC2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is MXFNZJXDGGYPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-6-14-12(18-9)10(2)15-19(16,17)8-11-4-3-5-13-7-11/h6,10-11,13,15H,3-5,7-8H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 106388979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).