N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C14H21N3O3S — CID 102882757

IUPACN-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCS(=O)(=O)CC2C)cc1N
InChIInChI=1S/C14H21N3O3S/c1-10-3-4-12(7-13(10)15)16-14(18)8-17-5-6-21(19,20)9-11(17)2/h3-4,7,11H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyXGMDBXWSPVQHRW-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.63
Rot. Bonds3

About N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 102882757) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID102882757
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCS(=O)(=O)CC2C)cc1N
InChIInChI=1S/C14H21N3O3S/c1-10-3-4-12(7-13(10)15)16-14(18)8-17-5-6-21(19,20)9-11(17)2/h3-4,7,11H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyXGMDBXWSPVQHRW-UHFFFAOYSA-N
XLogP0.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 102882723
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331925
N-(3-amino-4-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 43544160
N-(4-aminophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102882753
N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 102882853
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882565
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide
CID 79936948
2-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 114231285

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 102882757) is N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide is Cc1ccc(NC(=O)CN2CCS(=O)(=O)CC2C)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is XGMDBXWSPVQHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-3-4-12(7-13(10)15)16-14(18)8-17-5-6-21(19,20)9-11(17)2/h3-4,7,11H,5-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 102882757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).