4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide

C16H22N4O4S — CID 97268124

IUPAC4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1
InChIInChI=1S/C16H22N4O4S/c1-23-14-4-6-15(7-5-14)25(21,22)18-9-13-3-2-8-20(10-13)11-16-17-12-24-19-16/h4-7,12-13,18H,2-3,8-11H2,1H3/t13-/m0/s1
InChIKeyWOUKLFYYHSRYMT-ZDUSSCGKSA-N
MW366.44 g/mol
LogP1.27
Rot. Bonds7

About 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide

4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 97268124) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID97268124
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1
InChIInChI=1S/C16H22N4O4S/c1-23-14-4-6-15(7-5-14)25(21,22)18-9-13-3-2-8-20(10-13)11-16-17-12-24-19-16/h4-7,12-13,18H,2-3,8-11H2,1H3/t13-/m0/s1
InChIKeyWOUKLFYYHSRYMT-ZDUSSCGKSA-N
XLogP1.27
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
4-methoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 25304086
N-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 25302920
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 72878212
2-methoxy-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 55259133
4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357
N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 25458978
4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120751652
4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 45226658
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 25370158

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide (CID 97268124) is 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is WOUKLFYYHSRYMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-23-14-4-6-15(7-5-14)25(21,22)18-9-13-3-2-8-20(10-13)11-16-17-12-24-19-16/h4-7,12-13,18H,2-3,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 97268124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).