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

C15H22N4O3S — CID 97333724

IUPAC4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
SMILESCCc1noc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)n1
InChIInChI=1S/C15H22N4O3S/c1-5-14-18-15(22-19-14)11(3)17-10(2)12-6-8-13(9-7-12)23(20,21)16-4/h6-11,16-17H,5H2,1-4H3/t10-,11-/m0/s1
InChIKeyNJZFZCLHRKCZSA-QWRGUYRKSA-N
MW338.43 g/mol
LogP1.95
Rot. Bonds7

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

4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 97333724) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
PubChem CID97333724
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
SMILESCCc1noc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)n1
InChIInChI=1S/C15H22N4O3S/c1-5-14-18-15(22-19-14)11(3)17-10(2)12-6-8-13(9-7-12)23(20,21)16-4/h6-11,16-17H,5H2,1-4H3/t10-,11-/m0/s1
InChIKeyNJZFZCLHRKCZSA-QWRGUYRKSA-N
XLogP1.95
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide (CID 97333724) is 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide is CCc1noc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)n1.
What is the InChIKey of 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is NJZFZCLHRKCZSA-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-5-14-18-15(22-19-14)11(3)17-10(2)12-6-8-13(9-7-12)23(20,21)16-4/h6-11,16-17H,5H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide?
4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 97333724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).