1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole

C11H16N4O2S2 — CID 86266417

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole
SMILESCN(C)S(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C11H16N4O2S2/c1-14(2)19(16,17)12-5-7-15-6-3-11(13-15)10-4-8-18-9-10/h3-4,6,8-9,12H,5,7H2,1-2H3
InChIKeyYRKIZWRUBPWLNM-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole

1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole (PubChem CID 86266417) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole
PubChem CID86266417
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole
SMILESCN(C)S(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C11H16N4O2S2/c1-14(2)19(16,17)12-5-7-15-6-3-11(13-15)10-4-8-18-9-10/h3-4,6,8-9,12H,5,7H2,1-2H3
InChIKeyYRKIZWRUBPWLNM-UHFFFAOYSA-N
XLogP1.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole (CID 86266417) is 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole is CN(C)S(=O)(=O)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole?
The InChIKey is YRKIZWRUBPWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-14(2)19(16,17)12-5-7-15-6-3-11(13-15)10-4-8-18-9-10/h3-4,6,8-9,12H,5,7H2,1-2H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole?
1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole has a molecular weight of 300.41 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-3-ylpyrazole is sourced from PubChem (CID 86266417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).