1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one

C16H24N2O3S — CID 17191316

IUPAC1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-3-4-5-16(19)17-10-12-18(13-11-17)22(20,21)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3
InChIKeyAFGOTWZWFRSTPC-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.02
Rot. Bonds5

About 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one (PubChem CID 17191316) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
PubChem CID17191316
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-3-4-5-16(19)17-10-12-18(13-11-17)22(20,21)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3
InChIKeyAFGOTWZWFRSTPC-UHFFFAOYSA-N
XLogP2.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797246
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78780026
1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797265
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-propylsulfanylethanone
CID 55821892
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9495897
N-[(2R)-2-hydroxypentyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 100648017
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 24554657

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one (CID 17191316) is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The InChIKey is AFGOTWZWFRSTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-4-5-16(19)17-10-12-18(13-11-17)22(20,21)15-8-6-14(2)7-9-15/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one has a molecular weight of 324.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one is sourced from PubChem (CID 17191316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).