N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H23N3O3S — CID 5308247

IUPACN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H23N3O3S/c1-13-17(14(2)23-18-13)24(21,22)19-16-8-10-20(11-9-16)12-15-6-4-3-5-7-15/h3-7,16,19H,8-12H2,1-2H3
InChIKeyNYAIPINVQKEVNG-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.23
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 5308247) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID5308247
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H23N3O3S/c1-13-17(14(2)23-18-13)24(21,22)19-16-8-10-20(11-9-16)12-15-6-4-3-5-7-15/h3-7,16,19H,8-12H2,1-2H3
InChIKeyNYAIPINVQKEVNG-UHFFFAOYSA-N
XLogP2.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
CID 53154860
N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
CID 114269373
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 141081625
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53009437
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108566886
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
CID 134025652
N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide
CID 86829417

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 5308247) is N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NYAIPINVQKEVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13-17(14(2)23-18-13)24(21,22)19-16-8-10-20(11-9-16)12-15-6-4-3-5-7-15/h3-7,16,19H,8-12H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 5308247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).