N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C12H16ClN3O3S — CID 43581141

IUPACN-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESNc1cc(Cl)ccc1NC(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-9-1-2-11(10(14)7-9)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17)
InChIKeyAIRTUKDDEJMGCY-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.59
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 43581141) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID43581141
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESNc1cc(Cl)ccc1NC(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H16ClN3O3S/c13-9-1-2-11(10(14)7-9)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17)
InChIKeyAIRTUKDDEJMGCY-UHFFFAOYSA-N
XLogP0.59
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.59
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-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43612136
N-(4-amino-2-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581094
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956460
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 43581141) is N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is Nc1cc(Cl)ccc1NC(=O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is AIRTUKDDEJMGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-9-1-2-11(10(14)7-9)15-12(17)8-16-3-5-20(18,19)6-4-16/h1-2,7H,3-6,8,14H2,(H,15,17).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 317.80 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 43581141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).