N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide

C13H15NO2S3 — CID 155800795

IUPACN-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCc1ccc(-c2cccs2)s1)C1CC1
InChIInChI=1S/C13H15NO2S3/c15-19(16,11-4-5-11)14-8-7-10-3-6-13(18-10)12-2-1-9-17-12/h1-3,6,9,11,14H,4-5,7-8H2
InChIKeyCQIRJHZJYLTRMU-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide

N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide (PubChem CID 155800795) has the molecular formula C13H15NO2S3 and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
PubChem CID155800795
Molecular FormulaC13H15NO2S3
Molecular Weight313.47 g/mol
Exact Mass313.03
IUPAC NameN-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCc1ccc(-c2cccs2)s1)C1CC1
InChIInChI=1S/C13H15NO2S3/c15-19(16,11-4-5-11)14-8-7-10-3-6-13(18-10)12-2-1-9-17-12/h1-3,6,9,11,14H,4-5,7-8H2
InChIKeyCQIRJHZJYLTRMU-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide (CID 155800795) is N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide is O=S(=O)(NCCc1ccc(-c2cccs2)s1)C1CC1.
What is the InChIKey of N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is CQIRJHZJYLTRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S3/c15-19(16,11-4-5-11)14-8-7-10-3-6-13(18-10)12-2-1-9-17-12/h1-3,6,9,11,14H,4-5,7-8H2.
What are the key properties of N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 155800795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).