(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide

C15H22N2O3S2 — CID 94624136

IUPAC(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCSc1ccccc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S2/c1-3-21-14-10-5-4-8-12(14)16-15(18)13-9-6-7-11-17(13)22(2,19)20/h4-5,8,10,13H,3,6-7,9,11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyIHUCEHDGXABDGY-CYBMUJFWSA-N
MW342.49 g/mol
LogP2.55
Rot. Bonds5

About (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide

(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 94624136) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID94624136
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCSc1ccccc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S2/c1-3-21-14-10-5-4-8-12(14)16-15(18)13-9-6-7-11-17(13)22(2,19)20/h4-5,8,10,13H,3,6-7,9,11H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyIHUCEHDGXABDGY-CYBMUJFWSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240591
(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 93487559
2-amino-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 64823573
1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827
(3R)-N-(2-ethylsulfanylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669876
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 131888945
N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
CID 131889204
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94013191

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide (CID 94624136) is (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide is CCSc1ccccc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O.
What is the InChIKey of (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is IHUCEHDGXABDGY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-3-21-14-10-5-4-8-12(14)16-15(18)13-9-6-7-11-17(13)22(2,19)20/h4-5,8,10,13H,3,6-7,9,11H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide?
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 94624136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).