5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

C11H16ClN3O3S — CID 97339761

IUPAC5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESC=C(Cl)CS(=O)(=O)N1CCC[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C11H16ClN3O3S/c1-8(12)7-19(16,17)15-5-3-4-10(6-15)11-13-9(2)14-18-11/h10H,1,3-7H2,2H3/t10-/m1/s1
InChIKeyURXQYURVVORWQI-SNVBAGLBSA-N
MW305.79 g/mol
LogP1.64
Rot. Bonds4

About 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 97339761) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID97339761
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESC=C(Cl)CS(=O)(=O)N1CCC[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C11H16ClN3O3S/c1-8(12)7-19(16,17)15-5-3-4-10(6-15)11-13-9(2)14-18-11/h10H,1,3-7H2,2H3/t10-/m1/s1
InChIKeyURXQYURVVORWQI-SNVBAGLBSA-N
XLogP1.64
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

N,N-diethyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832166
5-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 51966188
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
4-[[(3R)-1-(2-chloroprop-2-enylsulfonyl)pyrrolidin-3-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole
CID 99793095
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 97314416
(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
3-(4-methoxyphenyl)-5-[(3R)-1-propylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1456310
1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124590894
(1-aminocyclopentyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119112359

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 97339761) is 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is C=C(Cl)CS(=O)(=O)N1CCC[C@@H](c2nc(C)no2)C1.
What is the InChIKey of 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is URXQYURVVORWQI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-8(12)7-19(16,17)15-5-3-4-10(6-15)11-13-9(2)14-18-11/h10H,1,3-7H2,2H3/t10-/m1/s1.
What are the key properties of 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 305.79 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(2-chloroprop-2-enylsulfonyl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 97339761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).