(6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide

C13H13Cl2N3O2S — CID 7025832

IUPAC(6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESC/N=C1\S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C
InChIInChI=1S/C13H13Cl2N3O2S/c1-16-13-18(2)11(19)6-10(21-13)12(20)17-7-3-4-8(14)9(15)5-7/h3-5,10H,6H2,1-2H3,(H,17,20)/b16-13-/t10-/m0/s1
InChIKeyPPXZPYAQYODHOV-VQZCRYCJSA-N
MW346.24 g/mol
LogP2.88
Rot. Bonds2

About (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide

(6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 7025832) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID7025832
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name(6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESC/N=C1\S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C
InChIInChI=1S/C13H13Cl2N3O2S/c1-16-13-18(2)11(19)6-10(21-13)12(20)17-7-3-4-8(14)9(15)5-7/h3-5,10H,6H2,1-2H3,(H,17,20)/b16-13-/t10-/m0/s1
InChIKeyPPXZPYAQYODHOV-VQZCRYCJSA-N
XLogP2.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3352123
(6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
CID 7025824
2-(1,3-benzodioxol-5-ylimino)-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5096365
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4061211
(6S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 7318148
(6R)-N-(4-chlorophenyl)-2-(3,5-dichloro-4-hydroxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1039360
4-[[(6R)-2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1041612
N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4139931
N-(3-chloro-4-methylphenyl)-2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5140673
2-(4-bromophenyl)imino-N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3498476
4-[[(6R)-2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1234737
(6R)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1419450

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 7025832) is (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide is C/N=C1\S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1C.
What is the InChIKey of (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is PPXZPYAQYODHOV-VQZCRYCJSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-16-13-18(2)11(19)6-10(21-13)12(20)17-7-3-4-8(14)9(15)5-7/h3-5,10H,6H2,1-2H3,(H,17,20)/b16-13-/t10-/m0/s1.
What are the key properties of (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
(6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 346.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 7025832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).