N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide

C15H16N4O2S2 — CID 139017516

IUPACN-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide
SMILESO=S(=O)(NC1CC(Cn2ccnc2)C1)c1cnc2ccsc2c1
InChIInChI=1S/C15H16N4O2S2/c20-23(21,13-7-15-14(17-8-13)1-4-22-15)18-12-5-11(6-12)9-19-3-2-16-10-19/h1-4,7-8,10-12,18H,5-6,9H2
InChIKeySJXMCPJRWYGWHO-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.25
Rot. Bonds5

About N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide

N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide (PubChem CID 139017516) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide
PubChem CID139017516
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide
SMILESO=S(=O)(NC1CC(Cn2ccnc2)C1)c1cnc2ccsc2c1
InChIInChI=1S/C15H16N4O2S2/c20-23(21,13-7-15-14(17-8-13)1-4-22-15)18-12-5-11(6-12)9-19-3-2-16-10-19/h1-4,7-8,10-12,18H,5-6,9H2
InChIKeySJXMCPJRWYGWHO-UHFFFAOYSA-N
XLogP2.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide (CID 139017516) is N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide is O=S(=O)(NC1CC(Cn2ccnc2)C1)c1cnc2ccsc2c1.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide?
The InChIKey is SJXMCPJRWYGWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c20-23(21,13-7-15-14(17-8-13)1-4-22-15)18-12-5-11(6-12)9-19-3-2-16-10-19/h1-4,7-8,10-12,18H,5-6,9H2.
What are the key properties of N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide?
N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazol-1-ylmethyl)cyclobutyl]thieno[3,2-b]pyridine-6-sulfonamide is sourced from PubChem (CID 139017516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).