1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine

C14H19N5O2S2 — CID 4780913

IUPAC1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Sc3nccn3C)nc2)CC1
InChIInChI=1S/C14H19N5O2S2/c1-17-7-9-19(10-8-17)23(20,21)12-3-4-13(16-11-12)22-14-15-5-6-18(14)2/h3-6,11H,7-10H2,1-2H3
InChIKeyYOLSWSFZNILWBC-UHFFFAOYSA-N
MW353.47 g/mol
LogP0.90
Rot. Bonds4

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

1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine (PubChem CID 4780913) has the molecular formula C14H19N5O2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine
PubChem CID4780913
Molecular FormulaC14H19N5O2S2
Molecular Weight353.47 g/mol
Exact Mass353.10
IUPAC Name1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Sc3nccn3C)nc2)CC1
InChIInChI=1S/C14H19N5O2S2/c1-17-7-9-19(10-8-17)23(20,21)12-3-4-13(16-11-12)22-14-15-5-6-18(14)2/h3-6,11H,7-10H2,1-2H3
InChIKeyYOLSWSFZNILWBC-UHFFFAOYSA-N
XLogP0.90
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine (CID 4780913) is 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine is CN1CCN(S(=O)(=O)c2ccc(Sc3nccn3C)nc2)CC1.
What is the InChIKey of 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine?
The InChIKey is YOLSWSFZNILWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S2/c1-17-7-9-19(10-8-17)23(20,21)12-3-4-13(16-11-12)22-14-15-5-6-18(14)2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine?
1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine has a molecular weight of 353.47 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]sulfonyl]piperazine is sourced from PubChem (CID 4780913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).