N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide

C14H17N3O2S — CID 71875047

IUPACN-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCC1C(C)S(=O)CCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2S/c1-10-11(2)20(19)8-7-17(10)14(18)16-13-5-3-12(9-15)4-6-13/h3-6,10-11H,7-8H2,1-2H3,(H,16,18)
InChIKeyGHLUNECJYALVBW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.93
Rot. Bonds1

About N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide

N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 71875047) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID71875047
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCC1C(C)S(=O)CCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2S/c1-10-11(2)20(19)8-7-17(10)14(18)16-13-5-3-12(9-15)4-6-13/h3-6,10-11H,7-8H2,1-2H3,(H,16,18)
InChIKeyGHLUNECJYALVBW-UHFFFAOYSA-N
XLogP1.93
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
CID 82755656
1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107070005
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-(4-cyanophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250320
N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
CID 47092621
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108519434
N-(4-cyanophenyl)pyrrole-1-carboxamide
CID 57233702

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide (CID 71875047) is N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide is CC1C(C)S(=O)CCN1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is GHLUNECJYALVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-11(2)20(19)8-7-17(10)14(18)16-13-5-3-12(9-15)4-6-13/h3-6,10-11H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,3-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 71875047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).