N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

C16H24N2O4S2 — CID 6499036

IUPACN-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C16H24N2O4S2/c1-22-12-9-17-16(19)13-7-10-18(11-8-13)24(20,21)15-5-3-14(23-2)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,17,19)
InChIKeyQZGCYGMGPWOMQQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.57
Rot. Bonds7

About N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 6499036) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID6499036
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C16H24N2O4S2/c1-22-12-9-17-16(19)13-7-10-18(11-8-13)24(20,21)15-5-3-14(23-2)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,17,19)
InChIKeyQZGCYGMGPWOMQQ-UHFFFAOYSA-N
XLogP1.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide 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-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285254
1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2295277
N-[(2-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285534
N-[(4-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285506
1-(4-methylsulfanylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 7445179
1-(3,4-dimethylphenyl)sulfonyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 24542864
1-(4-methylsulfanylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
N-(2,4-dimethylpentan-3-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 9180026
1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 6472270
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27240838
N-(2-ethylhexyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 133211188
N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935217

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (CID 6499036) is N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QZGCYGMGPWOMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-22-12-9-17-16(19)13-7-10-18(11-8-13)24(20,21)15-5-3-14(23-2)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6499036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).