N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C14H21N3O3S — CID 102882853

IUPACN-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCC1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1CN
InChIInChI=1S/C14H21N3O3S/c1-11-10-21(19,20)7-6-17(11)9-14(18)16-13-5-3-2-4-12(13)8-15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyFIWYHNQHZUDAAO-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.20
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 102882853) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID102882853
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCC1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1CN
InChIInChI=1S/C14H21N3O3S/c1-11-10-21(19,20)7-6-17(11)9-14(18)16-13-5-3-2-4-12(13)8-15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyFIWYHNQHZUDAAO-UHFFFAOYSA-N
XLogP0.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 43648575
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
CID 104689093
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone
CID 102884755
1-(2-bromophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102884766
N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide
CID 63603834
N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide
CID 64571252
N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283533
N-(4-aminophenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102882753

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 102882853) is N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide is CC1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is FIWYHNQHZUDAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11-10-21(19,20)7-6-17(11)9-14(18)16-13-5-3-2-4-12(13)8-15/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 102882853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).