2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine

C18H19N3O2S2 — CID 10386823

IUPAC2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine
SMILESO=S(=O)(Cc1ccccc1)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C18H19N3O2S2/c22-25(23,13-14-4-2-1-3-5-14)17-12-15-16(24-17)6-7-20-18(15)21-10-8-19-9-11-21/h1-7,12,19H,8-11,13H2
InChIKeyYQWIEBKOFBHKCM-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.68
Rot. Bonds4

About 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine

2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine (PubChem CID 10386823) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine
PubChem CID10386823
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine
SMILESO=S(=O)(Cc1ccccc1)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C18H19N3O2S2/c22-25(23,13-14-4-2-1-3-5-14)17-12-15-16(24-17)6-7-20-18(15)21-10-8-19-9-11-21/h1-7,12,19H,8-11,13H2
InChIKeyYQWIEBKOFBHKCM-UHFFFAOYSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine?
The IUPAC name of 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine (CID 10386823) is 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine.
What is the SMILES notation for 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine?
The canonical SMILES for 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine is O=S(=O)(Cc1ccccc1)c1cc2c(N3CCNCC3)nccc2s1.
What is the InChIKey of 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine?
The InChIKey is YQWIEBKOFBHKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-25(23,13-14-4-2-1-3-5-14)17-12-15-16(24-17)6-7-20-18(15)21-10-8-19-9-11-21/h1-7,12,19H,8-11,13H2.
What are the key properties of 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine?
2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine has a molecular weight of 373.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine is sourced from PubChem (CID 10386823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).