N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide

C12H16N4O3S — CID 34284551

IUPACN-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
SMILESCc1noc([C@H](C)Nc2cccc(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C12H16N4O3S/c1-8(12-14-9(2)15-19-12)13-10-5-4-6-11(7-10)16-20(3,17)18/h4-8,13,16H,1-3H3/t8-/m0/s1
InChIKeyDBTVGTGVBXKCLI-QMMMGPOBSA-N
MW296.35 g/mol
LogP1.92
Rot. Bonds5

About N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide

N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide (PubChem CID 34284551) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
PubChem CID34284551
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
SMILESCc1noc([C@H](C)Nc2cccc(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C12H16N4O3S/c1-8(12-14-9(2)15-19-12)13-10-5-4-6-11(7-10)16-20(3,17)18/h4-8,13,16H,1-3H3/t8-/m0/s1
InChIKeyDBTVGTGVBXKCLI-QMMMGPOBSA-N
XLogP1.92
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 47155570
N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329728
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 47027516
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 72922256

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide (CID 34284551) is N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide is Cc1noc([C@H](C)Nc2cccc(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide?
The InChIKey is DBTVGTGVBXKCLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8(12-14-9(2)15-19-12)13-10-5-4-6-11(7-10)16-20(3,17)18/h4-8,13,16H,1-3H3/t8-/m0/s1.
What are the key properties of N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide?
N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 34284551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).