N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide

C10H13N3O2S2 — CID 71808159

IUPACN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C10H13N3O2S2/c1-17(14,15)11-5-7-13-6-4-9(12-13)10-3-2-8-16-10/h2-4,6,8,11H,5,7H2,1H3
InChIKeyJATBADRTZKNBAM-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide

N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 71808159) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID71808159
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C10H13N3O2S2/c1-17(14,15)11-5-7-13-6-4-9(12-13)10-3-2-8-16-10/h2-4,6,8,11H,5,7H2,1H3
InChIKeyJATBADRTZKNBAM-UHFFFAOYSA-N
XLogP1.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide (CID 71808159) is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1ccc(-c2cccs2)n1.
What is the InChIKey of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is JATBADRTZKNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-17(14,15)11-5-7-13-6-4-9(12-13)10-3-2-8-16-10/h2-4,6,8,11H,5,7H2,1H3.
What are the key properties of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 71808159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).