N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C17H18ClN3O3S — CID 51950263

IUPACN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H18ClN3O3S/c1-12(9-13-3-2-4-15(18)10-13)19-17(22)14-5-6-16-20-25(23,24)8-7-21(16)11-14/h2-6,10-12H,7-9H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyWTBITCOAIRCEGD-LBPRGKRZSA-N
MW379.87 g/mol
LogP1.88
Rot. Bonds4

About N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 51950263) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID51950263
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H18ClN3O3S/c1-12(9-13-3-2-4-15(18)10-13)19-17(22)14-5-6-16-20-25(23,24)8-7-21(16)11-14/h2-6,10-12H,7-9H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyWTBITCOAIRCEGD-LBPRGKRZSA-N
XLogP1.88
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 55974068
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 42353144
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 40810687
N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 4963607
N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 49366370
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
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CID 46598218
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CID 81227390
4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
CID 102851122
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46563354
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 51950263) is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is WTBITCOAIRCEGD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-12(9-13-3-2-4-15(18)10-13)19-17(22)14-5-6-16-20-25(23,24)8-7-21(16)11-14/h2-6,10-12H,7-9H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 51950263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).