N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide

C14H17N3O3S2 — CID 127266868

IUPACN-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide
SMILESCC(=O)N1CCC(CNS(=O)(=O)c2cnc3ccsc3c2)C1
InChIInChI=1S/C14H17N3O3S2/c1-10(18)17-4-2-11(9-17)7-16-22(19,20)12-6-14-13(15-8-12)3-5-21-14/h3,5-6,8,11,16H,2,4,7,9H2,1H3
InChIKeyIMVVEPUOZJUTDH-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.44
Rot. Bonds4

About N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide

N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide (PubChem CID 127266868) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide
PubChem CID127266868
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide
SMILESCC(=O)N1CCC(CNS(=O)(=O)c2cnc3ccsc3c2)C1
InChIInChI=1S/C14H17N3O3S2/c1-10(18)17-4-2-11(9-17)7-16-22(19,20)12-6-14-13(15-8-12)3-5-21-14/h3,5-6,8,11,16H,2,4,7,9H2,1H3
InChIKeyIMVVEPUOZJUTDH-UHFFFAOYSA-N
XLogP1.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide
CID 126823243
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 123149437
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211914
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110736222
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 119538468
6-amino-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62156782
6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide
CID 95781637
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide?
The IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide (CID 127266868) is N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide.
What is the SMILES notation for N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide?
The canonical SMILES for N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide is CC(=O)N1CCC(CNS(=O)(=O)c2cnc3ccsc3c2)C1.
What is the InChIKey of N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide?
The InChIKey is IMVVEPUOZJUTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10(18)17-4-2-11(9-17)7-16-22(19,20)12-6-14-13(15-8-12)3-5-21-14/h3,5-6,8,11,16H,2,4,7,9H2,1H3.
What are the key properties of N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide?
N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide has a molecular weight of 339.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-6-sulfonamide is sourced from PubChem (CID 127266868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).