N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide

C17H24N4O3S — CID 86829417

IUPACN-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1nc(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)no1
InChIInChI=1S/C17H24N4O3S/c1-13(2)17-18-16(19-24-17)12-21-10-8-14(9-11-21)20-25(22,23)15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3
InChIKeyCUYSMMCXBIOPEF-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.14
Rot. Bonds6

About N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide

N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 86829417) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID86829417
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1nc(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)no1
InChIInChI=1S/C17H24N4O3S/c1-13(2)17-18-16(19-24-17)12-21-10-8-14(9-11-21)20-25(22,23)15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3
InChIKeyCUYSMMCXBIOPEF-UHFFFAOYSA-N
XLogP2.14
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide with MolForge

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Related Compounds

2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79605835
[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909578
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
4-fluoro-N-[1-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzenesulfonamide
CID 37220944
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55537974
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51110179

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide (CID 86829417) is N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide is CC(C)c1nc(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)no1.
What is the InChIKey of N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is CUYSMMCXBIOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13(2)17-18-16(19-24-17)12-21-10-8-14(9-11-21)20-25(22,23)15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3.
What are the key properties of N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 86829417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).