N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide

C17H23N3O3S — CID 71975869

IUPACN-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC1CC(NS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1
InChIInChI=1S/C17H23N3O3S/c1-14-11-16(19-24(21,22)13-17-8-10-23-18-17)7-9-20(14)12-15-5-3-2-4-6-15/h2-6,8,10,14,16,19H,7,9,11-13H2,1H3
InChIKeyBFAMPKBVQYNBEJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.15
Rot. Bonds6

About N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide

N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71975869) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71975869
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC1CC(NS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1
InChIInChI=1S/C17H23N3O3S/c1-14-11-16(19-24(21,22)13-17-8-10-23-18-17)7-9-20(14)12-15-5-3-2-4-6-15/h2-6,8,10,14,16,19H,7,9,11-13H2,1H3
InChIKeyBFAMPKBVQYNBEJ-UHFFFAOYSA-N
XLogP2.15
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
N-[3-(4-benzylpiperazin-1-yl)propyl]-3,5-dimethylisoxazole-4-sulfonamide
CID 3236781
N'-benzyl-N-(1-isoxazol-3-ylethyl)-N-methylsulfamide
CID 56872796
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997620
N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137948
3-[1-(Benzylsulfonyl)-4-piperidyl]-5-isoxazolamine
CID 53146672
N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine
CID 71858818
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71918160
N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]ethanamine
CID 75456034
N-(isoxazol-3-ylmethyl)-3-{[(2R)-2-methylpiperazin-1-yl]sulfonyl}benzamide
CID 77081690
3-[[4-(3-Phenylprop-2-ynyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 86819685
N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 96563411

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71975869) is N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide is CC1CC(NS(=O)(=O)Cc2ccon2)CCN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is BFAMPKBVQYNBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-14-11-16(19-24(21,22)13-17-8-10-23-18-17)7-9-20(14)12-15-5-3-2-4-6-15/h2-6,8,10,14,16,19H,7,9,11-13H2,1H3.
What are the key properties of N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpiperidin-4-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71975869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).