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

C12H15N3O2S2 — CID 71808160

IUPACN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C12H15N3O2S2/c16-19(17,10-3-4-10)13-6-8-15-7-5-11(14-15)12-2-1-9-18-12/h1-2,5,7,9-10,13H,3-4,6,8H2
InChIKeyUTFOMXVNUWUHFE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.69
Rot. Bonds6

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

N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide (PubChem CID 71808160) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
PubChem CID71808160
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C12H15N3O2S2/c16-19(17,10-3-4-10)13-6-8-15-7-5-11(14-15)12-2-1-9-18-12/h1-2,5,7,9-10,13H,3-4,6,8H2
InChIKeyUTFOMXVNUWUHFE-UHFFFAOYSA-N
XLogP1.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.69
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]cyclopropanesulfonamide?
The IUPAC name of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide (CID 71808160) is N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide is O=S(=O)(NCCn1ccc(-c2cccs2)n1)C1CC1.
What is the InChIKey of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is UTFOMXVNUWUHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c16-19(17,10-3-4-10)13-6-8-15-7-5-11(14-15)12-2-1-9-18-12/h1-2,5,7,9-10,13H,3-4,6,8H2.
What are the key properties of N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.69, 6 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]cyclopropanesulfonamide is sourced from PubChem (CID 71808160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).