cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone

C15H20N2O5S2 — CID 110817571

IUPACcyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C15H20N2O5S2/c1-23(19,20)13-4-6-14(7-5-13)24(21,22)17-10-8-16(9-11-17)15(18)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3
InChIKeyGJLVSAJTGLMQQM-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.33
Rot. Bonds4

About cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone

cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 110817571) has the molecular formula C15H20N2O5S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID110817571
Molecular FormulaC15H20N2O5S2
Molecular Weight372.47 g/mol
Exact Mass372.08
IUPAC Namecyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C15H20N2O5S2/c1-23(19,20)13-4-6-14(7-5-13)24(21,22)17-10-8-16(9-11-17)15(18)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3
InChIKeyGJLVSAJTGLMQQM-UHFFFAOYSA-N
XLogP0.33
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylpiperazin-1-yl]methanone
CID 110817546
[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797074
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
cyclopropyl-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806526
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31190301
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
cyclohexyl-[4-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55853869
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 17430356
piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone (CID 110817571) is cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone is CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is GJLVSAJTGLMQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S2/c1-23(19,20)13-4-6-14(7-5-13)24(21,22)17-10-8-16(9-11-17)15(18)12-2-3-12/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 110817571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).