2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C17H26N2O3S — CID 110817473

IUPAC2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-4-5-15-6-8-16(9-7-15)23(21,22)19-12-10-18(11-13-19)17(20)14(2)3/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyHTZYRPFTZSHNAS-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.13
Rot. Bonds5

About 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one

2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 110817473) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID110817473
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-4-5-15-6-8-16(9-7-15)23(21,22)19-12-10-18(11-13-19)17(20)14(2)3/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyHTZYRPFTZSHNAS-UHFFFAOYSA-N
XLogP2.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119686738
2-methyl-1-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796956
3-methyl-1-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110797428
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
3-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9246642
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
(4-methylsulfanylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8624100
N-[(2S)-pentan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393707
3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 110817473) is 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is HTZYRPFTZSHNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-5-15-6-8-16(9-7-15)23(21,22)19-12-10-18(11-13-19)17(20)14(2)3/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 338.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 110817473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).