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

C13H14BrN3O2S — CID 7025824

IUPAC(6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESC/N=C1\S[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N1C
InChIInChI=1S/C13H14BrN3O2S/c1-15-13-17(2)11(18)7-10(20-13)12(19)16-9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3,(H,16,19)/b15-13-/t10-/m0/s1
InChIKeyCFINSZKPQOWFIU-ZSNVJIKNSA-N
MW356.25 g/mol
LogP2.34
Rot. Bonds2

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

(6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 7025824) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID7025824
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name(6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESC/N=C1\S[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N1C
InChIInChI=1S/C13H14BrN3O2S/c1-15-13-17(2)11(18)7-10(20-13)12(19)16-9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3,(H,16,19)/b15-13-/t10-/m0/s1
InChIKeyCFINSZKPQOWFIU-ZSNVJIKNSA-N
XLogP2.34
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.34
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

4-[[(6R)-2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1114306
(6S)-N-(3,4-dichlorophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide
CID 7025832
(6R)-N-(4-bromophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114350
N-(4-bromophenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CID 3619455
(6R)-3-methyl-4-oxo-N-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 699214
N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3523859
(6S)-2-(4-bromophenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1414430
4-[[2-(4-bromophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 4117528
N-(4-methoxyphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139917
4-[[(6R)-2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 1234737
(6S)-N-(4-fluorophenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114343
(6R)-N-(4-chlorophenyl)-2-(3,5-dichloro-4-hydroxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1039360

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 7025824) is (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide is C/N=C1\S[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N1C.
What is the InChIKey of (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is CFINSZKPQOWFIU-ZSNVJIKNSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-15-13-17(2)11(18)7-10(20-13)12(19)16-9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3,(H,16,19)/b15-13-/t10-/m0/s1.
What are the key properties of (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide?
(6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-bromophenyl)-3-methyl-2-methylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 7025824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).