3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole

C15H21N5O4S — CID 118788409

IUPAC3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(c2noc(-c3ccccc3)n2)C[C@H]1O
InChIInChI=1S/C15H21N5O4S/c1-19(2)25(22,23)18-12-8-9-20(10-13(12)21)15-16-14(24-17-15)11-6-4-3-5-7-11/h3-7,12-13,18,21H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyOIRWWJYCCKMFSK-CHWSQXEVSA-N
MW367.43 g/mol
LogP0.07
Rot. Bonds5

About 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole

3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 118788409) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID118788409
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(c2noc(-c3ccccc3)n2)C[C@H]1O
InChIInChI=1S/C15H21N5O4S/c1-19(2)25(22,23)18-12-8-9-20(10-13(12)21)15-16-14(24-17-15)11-6-4-3-5-7-11/h3-7,12-13,18,21H,8-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyOIRWWJYCCKMFSK-CHWSQXEVSA-N
XLogP0.07
TPSA111.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
CID 133121479
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
CID 133482888
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
CID 163309435
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine
CID 118790702
(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548890
2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine
CID 118769440
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole (CID 118788409) is 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole is CN(C)S(=O)(=O)N[C@@H]1CCN(c2noc(-c3ccccc3)n2)C[C@H]1O.
What is the InChIKey of 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is OIRWWJYCCKMFSK-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-19(2)25(22,23)18-12-8-9-20(10-13(12)21)15-16-14(24-17-15)11-6-4-3-5-7-11/h3-7,12-13,18,21H,8-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 367.43 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 118788409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).