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

C14H20N4O3S — CID 84598312

IUPACN,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1nc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)no1
InChIInChI=1S/C14H20N4O3S/c1-10(15-9-14-16-11(2)21-17-14)12-5-7-13(8-6-12)22(19,20)18(3)4/h5-8,10,15H,9H2,1-4H3
InChIKeyIIGWJZRCGLYIMF-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.48
Rot. Bonds6

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

N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 84598312) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID84598312
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1nc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)no1
InChIInChI=1S/C14H20N4O3S/c1-10(15-9-14-16-11(2)21-17-14)12-5-7-13(8-6-12)22(19,20)18(3)4/h5-8,10,15H,9H2,1-4H3
InChIKeyIIGWJZRCGLYIMF-UHFFFAOYSA-N
XLogP1.48
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide (CID 84598312) is N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide is Cc1nc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)no1.
What is the InChIKey of N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is IIGWJZRCGLYIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10(15-9-14-16-11(2)21-17-14)12-5-7-13(8-6-12)22(19,20)18(3)4/h5-8,10,15H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide?
N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 84598312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).