N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide

C13H15N3O4S — CID 138376701

IUPACN-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES[H]/N=C1/NC(=O)CC(C(=O)Nc2cc(OC)cc(OC)c2)S1
InChIInChI=1S/C13H15N3O4S/c1-19-8-3-7(4-9(5-8)20-2)15-12(18)10-6-11(17)16-13(14)21-10/h3-5,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyKXAJBMQVUAIEGW-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.20
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide

N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 138376701) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID138376701
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES[H]/N=C1/NC(=O)CC(C(=O)Nc2cc(OC)cc(OC)c2)S1
InChIInChI=1S/C13H15N3O4S/c1-19-8-3-7(4-9(5-8)20-2)15-12(18)10-6-11(17)16-13(14)21-10/h3-5,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyKXAJBMQVUAIEGW-UHFFFAOYSA-N
XLogP1.20
TPSA100.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide (CID 138376701) is N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide is [H]/N=C1/NC(=O)CC(C(=O)Nc2cc(OC)cc(OC)c2)S1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is KXAJBMQVUAIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-19-8-3-7(4-9(5-8)20-2)15-12(18)10-6-11(17)16-13(14)21-10/h3-5,10H,6H2,1-2H3,(H,15,18)(H2,14,16,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide?
N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-imino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 138376701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).