1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine

C18H22FN3O2S2 — CID 25409396

IUPAC1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2S2/c1-14(15-3-5-16(19)6-4-15)25-18-8-7-17(13-20-18)26(23,24)22-11-9-21(2)10-12-22/h3-8,13-14H,9-12H2,1-2H3/t14-/m1/s1
InChIKeyJPSREXVYJWJZPM-CQSZACIVSA-N
MW395.53 g/mol
LogP3.01
Rot. Bonds5

About 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine

1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine (PubChem CID 25409396) has the molecular formula C18H22FN3O2S2 and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine
PubChem CID25409396
Molecular FormulaC18H22FN3O2S2
Molecular Weight395.53 g/mol
Exact Mass395.11
IUPAC Name1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2S2/c1-14(15-3-5-16(19)6-4-15)25-18-8-7-17(13-20-18)26(23,24)22-11-9-21(2)10-12-22/h3-8,13-14H,9-12H2,1-2H3/t14-/m1/s1
InChIKeyJPSREXVYJWJZPM-CQSZACIVSA-N
XLogP3.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[[6-(2-methylprop-2-enylsulfanyl)-3-pyridinyl]sulfonyl]piperazine
CID 17412610
1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
CID 17480565
1-(azepan-1-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propan-1-one
CID 22109709
N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 43031074
(2S)-N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 7778984
1-[[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 7778954
(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38974194
N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 7491212
1-(1H-indol-3-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propan-1-one
CID 16562463
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 25408598
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41088397
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 46670040

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine (CID 25409396) is 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine is C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc(F)cc1.
What is the InChIKey of 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The InChIKey is JPSREXVYJWJZPM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FN3O2S2/c1-14(15-3-5-16(19)6-4-15)25-18-8-7-17(13-20-18)26(23,24)22-11-9-21(2)10-12-22/h3-8,13-14H,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine?
1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine has a molecular weight of 395.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 25409396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).