1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine

C22H24N2O2S — CID 28921899

IUPAC1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine
SMILESCOc1ccc2ccccc2c1[S@](=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N2O2S/c1-26-21-12-11-19-9-5-6-10-20(19)22(21)27(25)24-15-13-23(14-16-24)17-18-7-3-2-4-8-18/h2-12H,13-17H2,1H3/t27-/m0/s1
InChIKeyXIFLCEQGIKETEC-MHZLTWQESA-N
MW380.51 g/mol
LogP3.69
Rot. Bonds5

About 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine

1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine (PubChem CID 28921899) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine
PubChem CID28921899
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine
SMILESCOc1ccc2ccccc2c1[S@](=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N2O2S/c1-26-21-12-11-19-9-5-6-10-20(19)22(21)27(25)24-15-13-23(14-16-24)17-18-7-3-2-4-8-18/h2-12H,13-17H2,1H3/t27-/m0/s1
InChIKeyXIFLCEQGIKETEC-MHZLTWQESA-N
XLogP3.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-(2-methoxynaphthalen-1-yl)sulfinylpiperazine
CID 1484851
1-benzyl-4-[(S)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]piperazine
CID 28922005
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
CID 1067931
1,3-dibenzyl-2-(2-methoxynaphthalen-1-yl)imidazolidine
CID 1050388
1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine
CID 25165683
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine?
The IUPAC name of 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine (CID 28921899) is 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine is COc1ccc2ccccc2c1[S@](=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine?
The InChIKey is XIFLCEQGIKETEC-MHZLTWQESA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-26-21-12-11-19-9-5-6-10-20(19)22(21)27(25)24-15-13-23(14-16-24)17-18-7-3-2-4-8-18/h2-12H,13-17H2,1H3/t27-/m0/s1.
What are the key properties of 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine?
1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine has a molecular weight of 380.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine is sourced from PubChem (CID 28921899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).