N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

C12H20N4O4S — CID 97314416

IUPACN-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1noc([C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1
InChIInChI=1S/C12H20N4O4S/c1-8(15-21(3,18)19)12(17)16-6-4-5-10(7-16)11-13-9(2)14-20-11/h8,10,15H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyDSCZCODDMATLSJ-SCZZXKLOSA-N
MW316.38 g/mol
LogP0.02
Rot. Bonds4

About N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 97314416) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID97314416
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1noc([C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1
InChIInChI=1S/C12H20N4O4S/c1-8(15-21(3,18)19)12(17)16-6-4-5-10(7-16)11-13-9(2)14-20-11/h8,10,15H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeyDSCZCODDMATLSJ-SCZZXKLOSA-N
XLogP0.02
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
methyl N-[(2R)-4-methyl-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 95153308
(1-aminocyclopentyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119112359
1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124590894
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
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 95578533
(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 94455628
(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97003531
3-(3-fluorophenyl)-2-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 48861491

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 97314416) is N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is Cc1noc([C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)n1.
What is the InChIKey of N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is DSCZCODDMATLSJ-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-8(15-21(3,18)19)12(17)16-6-4-5-10(7-16)11-13-9(2)14-20-11/h8,10,15H,4-7H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 97314416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).