N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine

C23H24N2O2S — CID 5164537

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine
SMILESCC1CCN(S(=O)(=O)c2ccc(/N=C/c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C23H24N2O2S/c1-18-13-15-25(16-14-18)28(26,27)22-11-9-21(10-12-22)24-17-20-7-4-6-19-5-2-3-8-23(19)20/h2-12,17-18H,13-16H2,1H3/b24-17+
InChIKeyJATQMLFENGMDBW-JJIBRWJFSA-N
MW392.52 g/mol
LogP5.01
Rot. Bonds4

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine (PubChem CID 5164537) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine
PubChem CID5164537
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine
SMILESCC1CCN(S(=O)(=O)c2ccc(/N=C/c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C23H24N2O2S/c1-18-13-15-25(16-14-18)28(26,27)22-11-9-21(10-12-22)24-17-20-7-4-6-19-5-2-3-8-23(19)20/h2-12,17-18H,13-16H2,1H3/b24-17+
InChIKeyJATQMLFENGMDBW-JJIBRWJFSA-N
XLogP5.01
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine 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

N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline
CID 5161686
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)methanimine
CID 5155615
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine (CID 5164537) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine is CC1CCN(S(=O)(=O)c2ccc(/N=C/c3cccc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine?
The InChIKey is JATQMLFENGMDBW-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-18-13-15-25(16-14-18)28(26,27)22-11-9-21(10-12-22)24-17-20-7-4-6-19-5-2-3-8-23(19)20/h2-12,17-18H,13-16H2,1H3/b24-17+.
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine has a molecular weight of 392.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-naphthalen-1-ylmethanimine is sourced from PubChem (CID 5164537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).