N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide

C17H21N3O3S2 — CID 18209405

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)/N=c2\sccn2Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O3S2/c1-25(22,23)20-9-7-15(8-10-20)16(21)18-17-19(11-12-24-17)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3/b18-17-
InChIKeyVQDJXOWAEMBSKF-ZCXUNETKSA-N
MW379.51 g/mol
LogP1.70
Rot. Bonds4

About N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 18209405) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID18209405
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)/N=c2\sccn2Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O3S2/c1-25(22,23)20-9-7-15(8-10-20)16(21)18-17-19(11-12-24-17)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3/b18-17-
InChIKeyVQDJXOWAEMBSKF-ZCXUNETKSA-N
XLogP1.70
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32621990
(2S)-N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32621992
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 16561302
1-(3-benzyl-1,3-thiazol-2-ylidene)-3-propan-2-ylthiourea
CID 9098389
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46686705
(2S,5R)-5-(aminomethyl)-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]oxolane-2-carboxamide
CID 120796692
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
CID 51320930
N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56922786
N-(3-benzyl-1,3-thiazol-2-ylidene)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18293281
2-[(3-benzyl-1,3-thiazol-2-ylidene)carbamothioylamino]ethyl-dimethylazanium
CID 9098391

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide (CID 18209405) is N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)/N=c2\sccn2Cc2ccccc2)CC1.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is VQDJXOWAEMBSKF-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-25(22,23)20-9-7-15(8-10-20)16(21)18-17-19(11-12-24-17)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3/b18-17-.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 18209405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).