N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride

C12H19ClN4O4S — CID 120865129

IUPACN,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(S(=O)(=O)N(C)C)o2)n1.Cl
InChIInChI=1S/C12H18N4O4S.ClH/c1-8(13-2)7-10-14-12(20-15-10)9-5-6-11(19-9)21(17,18)16(3)4;/h5-6,8,13H,7H2,1-4H3;1H
InChIKeyHVGLNTNJGWFSBI-UHFFFAOYSA-N
MW350.83 g/mol
LogP1.15
Rot. Bonds6

About N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride

N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride (PubChem CID 120865129) has the molecular formula C12H19ClN4O4S and a molecular weight of 350.83 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
PubChem CID120865129
Molecular FormulaC12H19ClN4O4S
Molecular Weight350.83 g/mol
Exact Mass350.08
IUPAC NameN,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(S(=O)(=O)N(C)C)o2)n1.Cl
InChIInChI=1S/C12H18N4O4S.ClH/c1-8(13-2)7-10-14-12(20-15-10)9-5-6-11(19-9)21(17,18)16(3)4;/h5-6,8,13H,7H2,1-4H3;1H
InChIKeyHVGLNTNJGWFSBI-UHFFFAOYSA-N
XLogP1.15
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylfuran-2-sulfonamide
CID 120858944
N-methyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylbenzenesulfonamide;hydrochloride
CID 120869121
N-ethyl-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylaniline;hydrochloride
CID 120868223
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
N-methyl-1-[5-(2-propylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867452
4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 120867320
2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide
CID 45494429
N-methyl-1-[5-(4-methyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137076810
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865580
N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride
CID 120866264
N-methyl-1-[5-(3-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868338

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride?
The IUPAC name of N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride (CID 120865129) is N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride is CNC(C)Cc1noc(-c2ccc(S(=O)(=O)N(C)C)o2)n1.Cl.
What is the InChIKey of N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride?
The InChIKey is HVGLNTNJGWFSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S.ClH/c1-8(13-2)7-10-14-12(20-15-10)9-5-6-11(19-9)21(17,18)16(3)4;/h5-6,8,13H,7H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride?
N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride has a molecular weight of 350.83 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120865129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).