6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine

C14H14N4O2S2 — CID 126830184

IUPAC6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine
SMILESO=S(=O)(c1cnc2ccsc2c1)N1CCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H14N4O2S2/c19-22(20,11-7-13-12(17-8-11)2-6-21-13)18-5-1-10(9-18)14-15-3-4-16-14/h2-4,6-8,10H,1,5,9H2,(H,15,16)
InChIKeyAOKQFUVANVPJNO-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.20
Rot. Bonds3

About 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine

6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine (PubChem CID 126830184) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine
PubChem CID126830184
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine
SMILESO=S(=O)(c1cnc2ccsc2c1)N1CCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H14N4O2S2/c19-22(20,11-7-13-12(17-8-11)2-6-21-13)18-5-1-10(9-18)14-15-3-4-16-14/h2-4,6-8,10H,1,5,9H2,(H,15,16)
InChIKeyAOKQFUVANVPJNO-UHFFFAOYSA-N
XLogP2.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779790
(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 97055812
1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
CID 110725902
N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylthieno[3,2-b]pyridine-6-sulfonamide
CID 126823243
5-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline
CID 84588500
formic acid;6-[3-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylchromen-2-one
CID 172910584
N-methyl-1-thieno[3,2-b]pyridin-6-ylsulfonylpiperidine-2-carboxamide
CID 154780639
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725900
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
CID 129339222
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 110104922
1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725892

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine?
The IUPAC name of 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine (CID 126830184) is 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine.
What is the SMILES notation for 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine?
The canonical SMILES for 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine is O=S(=O)(c1cnc2ccsc2c1)N1CCC(c2ncc[nH]2)C1.
What is the InChIKey of 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine?
The InChIKey is AOKQFUVANVPJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c19-22(20,11-7-13-12(17-8-11)2-6-21-13)18-5-1-10(9-18)14-15-3-4-16-14/h2-4,6-8,10H,1,5,9H2,(H,15,16).
What are the key properties of 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine?
6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine has a molecular weight of 334.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylthieno[3,2-b]pyridine is sourced from PubChem (CID 126830184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).