3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one

C19H24N2O3S — CID 1151515

IUPAC3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O3S/c1-15(2)13-19(22)20-9-11-21(12-10-20)25(23,24)18-8-7-16-5-3-4-6-17(16)14-18/h3-8,14-15H,9-13H2,1-2H3
InChIKeyBLUVXLDLVFLBOU-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.72
Rot. Bonds4

About 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one

3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one (PubChem CID 1151515) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
PubChem CID1151515
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O3S/c1-15(2)13-19(22)20-9-11-21(12-10-20)25(23,24)18-8-7-16-5-3-4-6-17(16)14-18/h3-8,14-15H,9-13H2,1-2H3
InChIKeyBLUVXLDLVFLBOU-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one 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

Cyclohexyl(3-(naphthalen-1-ylsulfonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 44582884
N-Hydroxy-N^2^-(3-Methylbutyl)-N^2^-(Naphthalen-2-Ylsulfonyl)-D-Valinamide
CID 53389286
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 3868445
Cyclohexyl(2,2-dimethyl-4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 24944801
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
4-Methyl-1-(2-naphthylsulfonyl)piperidine
CID 767330
1-Methyl-4-(naphthalene-2-sulfonyl)piperazine
CID 872090
1-Ethyl-4-naphthalen-2-ylsulfonylpiperazine
CID 973966
3,3-Dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
2-Chloro-1-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]ethan-1-one
CID 2405875
N-(2-naphthalenesulfonyl)-L-valyl-L-leucinal
CID 10883981

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one (CID 1151515) is 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one is CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one?
The InChIKey is BLUVXLDLVFLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(2)13-19(22)20-9-11-21(12-10-20)25(23,24)18-8-7-16-5-3-4-6-17(16)14-18/h3-8,14-15H,9-13H2,1-2H3.
What are the key properties of 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one?
3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one has a molecular weight of 360.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 1151515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).