(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide

C14H23N5O3S — CID 124875045

IUPAC(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide
SMILESCc1nc(C[C@H]2CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C2)no1
InChIInChI=1S/C14H23N5O3S/c1-11(8-15)9-18(3)23(20,21)19-6-4-5-13(10-19)7-14-16-12(2)22-17-14/h11,13H,4-7,9-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyNSOMPUGKAORVFU-DGCLKSJQSA-N
MW341.44 g/mol
LogP0.97
Rot. Bonds6

About (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide

(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide (PubChem CID 124875045) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide
PubChem CID124875045
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide
SMILESCc1nc(C[C@H]2CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C2)no1
InChIInChI=1S/C14H23N5O3S/c1-11(8-15)9-18(3)23(20,21)19-6-4-5-13(10-19)7-14-16-12(2)22-17-14/h11,13H,4-7,9-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyNSOMPUGKAORVFU-DGCLKSJQSA-N
XLogP0.97
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N,N-dimethyl-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]sulfonylpropanamide
CID 124829296
(3S)-N-[(2R)-2-cyanopropyl]-3-(2-ethylimidazol-1-yl)-N-methylpiperidine-1-sulfonamide
CID 124734712
(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide
CID 124741936
ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate
CID 124628859
2-methyl-3-(methylamino)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119775640
4-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pentan-1-one
CID 120562335
3-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106410338
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 103746439
1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 97316201
3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423465
(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069755
3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 125130905

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide (CID 124875045) is (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide is Cc1nc(C[C@H]2CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C2)no1.
What is the InChIKey of (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is NSOMPUGKAORVFU-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-11(8-15)9-18(3)23(20,21)19-6-4-5-13(10-19)7-14-16-12(2)22-17-14/h11,13H,4-7,9-10H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide?
(3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-cyanopropyl]-N-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 124875045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).