5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C10H14N4O3S2 — CID 110323234

IUPAC5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCN(C)S(=O)(=O)NCCc1nc(-c2cccs2)no1
InChIInChI=1S/C10H14N4O3S2/c1-14(2)19(15,16)11-6-5-9-12-10(13-17-9)8-4-3-7-18-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyGWOOVTXZYBPPSN-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.74
Rot. Bonds6

About 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 110323234) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID110323234
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCN(C)S(=O)(=O)NCCc1nc(-c2cccs2)no1
InChIInChI=1S/C10H14N4O3S2/c1-14(2)19(15,16)11-6-5-9-12-10(13-17-9)8-4-3-7-18-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyGWOOVTXZYBPPSN-UHFFFAOYSA-N
XLogP0.74
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
4-ethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323282
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110323255
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
2-[2-(dimethylsulfamoylamino)ethyl]thiophene
CID 35309368
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
2,5-dimethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323254
4-methoxy-2-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323250
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 51064599
N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012548
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 110323234) is 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CN(C)S(=O)(=O)NCCc1nc(-c2cccs2)no1.
What is the InChIKey of 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is GWOOVTXZYBPPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-14(2)19(15,16)11-6-5-9-12-10(13-17-9)8-4-3-7-18-8/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 302.38 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 110323234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).