N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide

C13H15NO2S3 — CID 72716879

IUPACN-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C13H15NO2S3/c15-19(16,13-4-2-10-18-13)14(11-5-6-11)8-7-12-3-1-9-17-12/h1-4,9-11H,5-8H2
InChIKeyZPVRZRPUVDCUKK-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.21
Rot. Bonds6

About N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide

N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 72716879) has the molecular formula C13H15NO2S3 and a molecular weight of 313.47 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
PubChem CID72716879
Molecular FormulaC13H15NO2S3
Molecular Weight313.47 g/mol
Exact Mass313.03
IUPAC NameN-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C13H15NO2S3/c15-19(16,13-4-2-10-18-13)14(11-5-6-11)8-7-12-3-1-9-17-12/h1-4,9-11H,5-8H2
InChIKeyZPVRZRPUVDCUKK-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide (CID 72716879) is N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is ZPVRZRPUVDCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S3/c15-19(16,13-4-2-10-18-13)14(11-5-6-11)8-7-12-3-1-9-17-12/h1-4,9-11H,5-8H2.
What are the key properties of N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 72716879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).