N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide

C16H27N3O2S — CID 134017765

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide
SMILESCCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H27N3O2S/c1-4-18(22(20,21)19-12-6-5-7-13-19)14-15-8-10-16(11-9-15)17(2)3/h8-11H,4-7,12-14H2,1-3H3
InChIKeyPGZLKZDXBGBWAD-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.31
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide (PubChem CID 134017765) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide
PubChem CID134017765
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide
SMILESCCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H27N3O2S/c1-4-18(22(20,21)19-12-6-5-7-13-19)14-15-8-10-16(11-9-15)17(2)3/h8-11H,4-7,12-14H2,1-3H3
InChIKeyPGZLKZDXBGBWAD-UHFFFAOYSA-N
XLogP2.31
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpiperidine-1-sulfonamide
CID 30667701
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
CID 55455065
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16597798
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
N-benzyl-N-(cyclobutylmethyl)piperidine-1-sulfonamide
CID 86841877
N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
CID 107366720
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 134025751
4-[[azepan-1-ylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 24622173
N-benzyl-N-ethyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119961266
4-(dimethylamino)-N,N-diethylbenzenesulfonamide
CID 11043368
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide (CID 134017765) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide is CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide?
The InChIKey is PGZLKZDXBGBWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-18(22(20,21)19-12-6-5-7-13-19)14-15-8-10-16(11-9-15)17(2)3/h8-11H,4-7,12-14H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide has a molecular weight of 325.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-1-sulfonamide is sourced from PubChem (CID 134017765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).