2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one

C18H22N2O3S — CID 2442477

IUPAC2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O3S/c1-14(2)18(21)19-9-11-20(12-10-19)24(22,23)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyHMHGFTOPMRZCNK-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.33
Rot. Bonds3

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

2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 2442477) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID2442477
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H22N2O3S/c1-14(2)18(21)19-9-11-20(12-10-19)24(22,23)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyHMHGFTOPMRZCNK-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-Chloro-1-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]ethan-1-one
CID 2405875
(4-(Biphenyl-3-ylsulfonyl)piperazin-1-yl)(cyclohexyl)methanone
CID 24944973
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)-2-(trifluoromethyl)piperazin-1-yl)methanone
CID 24945068
cyclohexyl((2R,6S)-2,6-dimethyl-4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 44582883
N-hydroxy-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 44608129

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one (CID 2442477) is 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one is CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is HMHGFTOPMRZCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(2)18(21)19-9-11-20(12-10-19)24(22,23)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 346.45 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2442477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).