N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide

C11H12N2O2S2 — CID 146108460

IUPACN-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide
SMILESCC1(NS(=O)(=O)c2cnc3sccc3c2)CC1
InChIInChI=1S/C11H12N2O2S2/c1-11(3-4-11)13-17(14,15)9-6-8-2-5-16-10(8)12-7-9/h2,5-7,13H,3-4H2,1H3
InChIKeyCSALQYCHOSQZBN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.13
Rot. Bonds3

About N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide

N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide (PubChem CID 146108460) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide
PubChem CID146108460
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide
SMILESCC1(NS(=O)(=O)c2cnc3sccc3c2)CC1
InChIInChI=1S/C11H12N2O2S2/c1-11(3-4-11)13-17(14,15)9-6-8-2-5-16-10(8)12-7-9/h2,5-7,13H,3-4H2,1H3
InChIKeyCSALQYCHOSQZBN-UHFFFAOYSA-N
XLogP2.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide (CID 146108460) is N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide is CC1(NS(=O)(=O)c2cnc3sccc3c2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide?
The InChIKey is CSALQYCHOSQZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-11(3-4-11)13-17(14,15)9-6-8-2-5-16-10(8)12-7-9/h2,5-7,13H,3-4H2,1H3.
What are the key properties of N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide?
N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide is sourced from PubChem (CID 146108460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).