1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine

C16H19N3O2S2 — CID 17480565

IUPAC1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Sc3ccccc3)nc2)CC1
InChIInChI=1S/C16H19N3O2S2/c1-18-9-11-19(12-10-18)23(20,21)15-7-8-16(17-13-15)22-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyVHXAMCZAJXRSLJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.17
Rot. Bonds4

About 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine

1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine (PubChem CID 17480565) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
PubChem CID17480565
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Sc3ccccc3)nc2)CC1
InChIInChI=1S/C16H19N3O2S2/c1-18-9-11-19(12-10-18)23(20,21)15-7-8-16(17-13-15)22-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyVHXAMCZAJXRSLJ-UHFFFAOYSA-N
XLogP2.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[[6-(2-methylprop-2-enylsulfanyl)-3-pyridinyl]sulfonyl]piperazine
CID 17412610
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41088397
1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 25409396
1-[[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 7778954
5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
CID 135189817
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 25408598
1-(azepan-1-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propan-1-one
CID 22109709
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole
CID 16625470
(2S)-N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 7778984
N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 43031074
N-cycloheptyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 7593969

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine (CID 17480565) is 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine is CN1CCN(S(=O)(=O)c2ccc(Sc3ccccc3)nc2)CC1.
What is the InChIKey of 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine?
The InChIKey is VHXAMCZAJXRSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-18-9-11-19(12-10-18)23(20,21)15-7-8-16(17-13-15)22-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine?
1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine has a molecular weight of 349.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine is sourced from PubChem (CID 17480565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).