N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide

C14H20N4O3S — CID 97065389

IUPACN-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([C@@H](C)NCCc2nc(C)no2)cc1
InChIInChI=1S/C14H20N4O3S/c1-10(16-9-8-14-17-11(2)18-21-14)12-4-6-13(7-5-12)22(19,20)15-3/h4-7,10,15-16H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyGAUOACDOUNNYOW-SNVBAGLBSA-N
MW324.41 g/mol
LogP1.18
Rot. Bonds7

About N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide

N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide (PubChem CID 97065389) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide
PubChem CID97065389
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([C@@H](C)NCCc2nc(C)no2)cc1
InChIInChI=1S/C14H20N4O3S/c1-10(16-9-8-14-17-11(2)18-21-14)12-4-6-13(7-5-12)22(19,20)15-3/h4-7,10,15-16H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyGAUOACDOUNNYOW-SNVBAGLBSA-N
XLogP1.18
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901575
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103901506
1-(4-ethoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901530
4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106419948
1-(4-chloro-3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901634
(2R,3S)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-2-amine
CID 97065414
4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97333724
4-[(1S)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 99719075
1-(1-ethylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901633
1-(5-ethylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 75515317
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 103901521
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106421967

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide (CID 97065389) is N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide is CNS(=O)(=O)c1ccc([C@@H](C)NCCc2nc(C)no2)cc1.
What is the InChIKey of N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is GAUOACDOUNNYOW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10(16-9-8-14-17-11(2)18-21-14)12-4-6-13(7-5-12)22(19,20)15-3/h4-7,10,15-16H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide?
N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1R)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97065389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).