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

C13H15NO3S3 — CID 71781747

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)(c1cccs1)C1CC1)c1cccs1
InChIInChI=1S/C13H15NO3S3/c15-13(10-5-6-10,11-3-1-7-18-11)9-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,10,14-15H,5-6,9H2
InChIKeySTXUHMCAGDGPQS-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.39
Rot. Bonds6

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

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 71781747) has the molecular formula C13H15NO3S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
PubChem CID71781747
Molecular FormulaC13H15NO3S3
Molecular Weight329.47 g/mol
Exact Mass329.02
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)(c1cccs1)C1CC1)c1cccs1
InChIInChI=1S/C13H15NO3S3/c15-13(10-5-6-10,11-3-1-7-18-11)9-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,10,14-15H,5-6,9H2
InChIKeySTXUHMCAGDGPQS-UHFFFAOYSA-N
XLogP2.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide (CID 71781747) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide is O=S(=O)(NCC(O)(c1cccs1)C1CC1)c1cccs1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is STXUHMCAGDGPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S3/c15-13(10-5-6-10,11-3-1-7-18-11)9-14-20(16,17)12-4-2-8-19-12/h1-4,7-8,10,14-15H,5-6,9H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 71781747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).