[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone

C19H28N2O3S — CID 7944162

IUPAC[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-3-15(2)16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)17-5-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3/t15-/m1/s1
InChIKeyVHYCUAMGGCMNCZ-OAHLLOKOSA-N
MW364.51 g/mol
LogP2.83
Rot. Bonds5

About [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone

[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone (PubChem CID 7944162) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
PubChem CID7944162
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-3-15(2)16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)17-5-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3/t15-/m1/s1
InChIKeyVHYCUAMGGCMNCZ-OAHLLOKOSA-N
XLogP2.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55556370
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119268600
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 55648006
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 43062320
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119684565
1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
CID 86870457
1-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-[(1R)-cyclopent-2-en-1-yl]ethanone
CID 9155292
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone (CID 7944162) is [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone is CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone?
The InChIKey is VHYCUAMGGCMNCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-15(2)16-7-9-18(10-8-16)25(23,24)21-13-11-20(12-14-21)19(22)17-5-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3/t15-/m1/s1.
What are the key properties of [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone?
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone has a molecular weight of 364.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 7944162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).