1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine

C19H24N2O3S — CID 95760565

IUPAC1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
SMILESCOc1cccc([C@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O3S/c1-16(17-7-6-8-18(15-17)24-2)20-11-13-21(14-12-20)25(22,23)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyCEALGRSHZDNVDA-INIZCTEOSA-N
MW360.48 g/mol
LogP2.76
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine

1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine (PubChem CID 95760565) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
PubChem CID95760565
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
SMILESCOc1cccc([C@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O3S/c1-16(17-7-6-8-18(15-17)24-2)20-11-13-21(14-12-20)25(22,23)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyCEALGRSHZDNVDA-INIZCTEOSA-N
XLogP2.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
1-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 124606516
1-[1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 122133686
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine
CID 133299610
1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 51966767
1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 5260685
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
(1R)-N-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 25265048

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine (CID 95760565) is 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine is COc1cccc([C@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine?
The InChIKey is CEALGRSHZDNVDA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16(17-7-6-8-18(15-17)24-2)20-11-13-21(14-12-20)25(22,23)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine?
1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 95760565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).