1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine

C17H22N2O3S — CID 870040

IUPAC1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1
InChIInChI=1S/C17H22N2O3S/c1-3-22-16-6-4-15-13-17(7-5-14(15)12-16)23(20,21)19-10-8-18(2)9-11-19/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDKZPFMKULLAVMW-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.17
Rot. Bonds4

About 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine

1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine (PubChem CID 870040) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine
PubChem CID870040
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1
InChIInChI=1S/C17H22N2O3S/c1-3-22-16-6-4-15-13-17(7-5-14(15)12-16)23(20,21)19-10-8-18(2)9-11-19/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyDKZPFMKULLAVMW-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
1-(6-Methoxy-naphthalene-2-sulfonyl)-pyrrolidine
CID 1085520
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
Ethyl 4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazine-1-carboxylate
CID 1260937
1-Benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 2293923
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
4-[(6-Ethoxy-2-naphthyl)sulfonyl]morpholine
CID 786092
1-(4-Methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine
CID 846975
4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]morpholine
CID 935156
1,1'-[(2-Methoxy-1,6-naphthalenediyl)disulfonyl]dipiperidine
CID 1242000
N-[2-(4-morpholinyl)ethyl]-4-propoxy-1-naphthalenesulfonamide
CID 2239380

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine (CID 870040) is 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine is CCOc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1.
What is the InChIKey of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine?
The InChIKey is DKZPFMKULLAVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-22-16-6-4-15-13-17(7-5-14(15)12-16)23(20,21)19-10-8-18(2)9-11-19/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine?
1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine has a molecular weight of 334.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 870040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).