N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide

C17H24N2O3S — CID 110747168

IUPACN-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCS(=O)(=O)C(c2ccccc2)C1
InChIInChI=1S/C17H24N2O3S/c20-17(18-15-9-5-2-6-10-15)19-11-12-23(21,22)16(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,18,20)
InChIKeyDLNNJVXUFOLWGT-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.50
Rot. Bonds2

About N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide

N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide (PubChem CID 110747168) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
PubChem CID110747168
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCS(=O)(=O)C(c2ccccc2)C1
InChIInChI=1S/C17H24N2O3S/c20-17(18-15-9-5-2-6-10-15)19-11-12-23(21,22)16(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,18,20)
InChIKeyDLNNJVXUFOLWGT-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 858165
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CID 121191833
N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide
CID 23139887
N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
CID 113080037
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-cyclohexyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 114500022
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(4-fluorophenyl)methanone
CID 121191859
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide (CID 110747168) is N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide is O=C(NC1CCCCC1)N1CCS(=O)(=O)C(c2ccccc2)C1.
What is the InChIKey of N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide?
The InChIKey is DLNNJVXUFOLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(18-15-9-5-2-6-10-15)19-11-12-23(21,22)16(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,18,20).
What are the key properties of N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide?
N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 110747168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).