(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide

C15H23N3O2S2 — CID 27518485

IUPAC(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide
SMILESCCNS(=O)(=O)c1ccc(NC(=S)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C15H23N3O2S2/c1-3-16-22(19,20)14-9-7-13(8-10-14)17-15(21)18-11-5-4-6-12(18)2/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyWCWYDMYTWQYLLV-GFCCVEGCSA-N
MW341.50 g/mol
LogP2.56
Rot. Bonds4

About (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide

(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide (PubChem CID 27518485) has the molecular formula C15H23N3O2S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide
PubChem CID27518485
Molecular FormulaC15H23N3O2S2
Molecular Weight341.50 g/mol
Exact Mass341.12
IUPAC Name(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide
SMILESCCNS(=O)(=O)c1ccc(NC(=S)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C15H23N3O2S2/c1-3-16-22(19,20)14-9-7-13(8-10-14)17-15(21)18-11-5-4-6-12(18)2/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyWCWYDMYTWQYLLV-GFCCVEGCSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(ethylsulfamoyl)phenyl]-3-methylpiperidine-1-carbothioamide
CID 17255662
N-[4-[(2-methylazepane-1-carbothioyl)amino]phenyl]acetamide
CID 78962641
(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide
CID 8616214
N-(4-chlorophenyl)-2-methylazepane-1-carbothioamide
CID 78962558
(2S)-N-[4-(ethylsulfamoyl)phenyl]-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 27520493
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
N-(3,4-dimethylphenyl)-2-methylazepane-1-carbothioamide
CID 115389300
1-(4-ethylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27525385
(2R,6S)-2,6-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide
CID 27520920
N-(3,5-dimethylphenyl)-2-methylazepane-1-carbothioamide
CID 115389302
(2R)-N-(3,5-difluorophenyl)-2-methylpiperidine-1-carbothioamide
CID 7342635

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide?
The IUPAC name of (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide (CID 27518485) is (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide.
What is the SMILES notation for (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide?
The canonical SMILES for (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide is CCNS(=O)(=O)c1ccc(NC(=S)N2CCCC[C@H]2C)cc1.
What is the InChIKey of (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide?
The InChIKey is WCWYDMYTWQYLLV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2S2/c1-3-16-22(19,20)14-9-7-13(8-10-14)17-15(21)18-11-5-4-6-12(18)2/h7-10,12,16H,3-6,11H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide?
(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide has a molecular weight of 341.50 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 27518485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).