1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide

C16H25N3O3S2 — CID 99951546

IUPAC1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C16H25N3O3S2/c1-4-23-15-8-6-5-7-14(15)17-16(20)13-9-11-19(12-10-13)24(21,22)18(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,17,20)
InChIKeyWXWXDJDFRFGGER-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.26
Rot. Bonds6

About 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide

1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 99951546) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID99951546
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C16H25N3O3S2/c1-4-23-15-8-6-5-7-14(15)17-16(20)13-9-11-19(12-10-13)24(21,22)18(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,17,20)
InChIKeyWXWXDJDFRFGGER-UHFFFAOYSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 93487559
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28570527
1-(dimethylsulfamoyl)-N-(2-phenylphenyl)piperidine-4-carboxamide
CID 41455218
ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008687
1-[(3-chlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 92671692
1-methylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide
CID 24603608
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 131949045
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide (CID 99951546) is 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide is CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is WXWXDJDFRFGGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-4-23-15-8-6-5-7-14(15)17-16(20)13-9-11-19(12-10-13)24(21,22)18(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,17,20).
What are the key properties of 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide?
1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 99951546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).