N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide

C13H19N3O3S — CID 43581148

IUPACN-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O3S/c1-10(16-5-7-20(18,19)8-6-16)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,14H2,1H3,(H,15,17)
InChIKeyKGPQSBNQOYDYAL-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.33
Rot. Bonds3

About N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide

N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide (PubChem CID 43581148) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
PubChem CID43581148
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O3S/c1-10(16-5-7-20(18,19)8-6-16)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,14H2,1H3,(H,15,17)
InChIKeyKGPQSBNQOYDYAL-UHFFFAOYSA-N
XLogP0.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.33
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-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581196
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
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N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66083868
(2S)-2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-methylbutanamide
CID 119863677
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62122801
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide (CID 43581148) is N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide is CC(C(=O)Nc1cccc(N)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The InChIKey is KGPQSBNQOYDYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10(16-5-7-20(18,19)8-6-16)13(17)15-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,14H2,1H3,(H,15,17).
What are the key properties of N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide has a molecular weight of 297.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide is sourced from PubChem (CID 43581148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).