1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine

C18H25N5O4S3 — CID 4969678

IUPAC1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nc2)CC1
InChIInChI=1S/C18H25N5O4S3/c1-20-6-10-22(11-7-20)29(24,25)16-4-5-17(19-15-16)21-8-12-23(13-9-21)30(26,27)18-3-2-14-28-18/h2-5,14-15H,6-13H2,1H3
InChIKeyCDHCWXMRSNFYPF-UHFFFAOYSA-N
MW471.63 g/mol
LogP0.59
Rot. Bonds5

About 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine

1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine (PubChem CID 4969678) has the molecular formula C18H25N5O4S3 and a molecular weight of 471.63 g/mol. Its IUPAC name is 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine
PubChem CID4969678
Molecular FormulaC18H25N5O4S3
Molecular Weight471.63 g/mol
Exact Mass471.11
IUPAC Name1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nc2)CC1
InChIInChI=1S/C18H25N5O4S3/c1-20-6-10-22(11-7-20)29(24,25)16-4-5-17(19-15-16)21-8-12-23(13-9-21)30(26,27)18-3-2-14-28-18/h2-5,14-15H,6-13H2,1H3
InChIKeyCDHCWXMRSNFYPF-UHFFFAOYSA-N
XLogP0.59
TPSA94.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine (CID 4969678) is 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine is CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nc2)CC1.
What is the InChIKey of 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine?
The InChIKey is CDHCWXMRSNFYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S3/c1-20-6-10-22(11-7-20)29(24,25)16-4-5-17(19-15-16)21-8-12-23(13-9-21)30(26,27)18-3-2-14-28-18/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine?
1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine has a molecular weight of 471.63 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine is sourced from PubChem (CID 4969678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).