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

C14H21N3O3S — CID 43581196

IUPACN-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESCC(C(=O)Nc1cccc(CN)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21N3O3S/c1-11(17-5-7-21(19,20)8-6-17)14(18)16-13-4-2-3-12(9-13)10-15/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyYNZGFFOJVGOQSF-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.20
Rot. Bonds4

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

N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide (PubChem CID 43581196) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
PubChem CID43581196
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESCC(C(=O)Nc1cccc(CN)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21N3O3S/c1-11(17-5-7-21(19,20)8-6-17)14(18)16-13-4-2-3-12(9-13)10-15/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyYNZGFFOJVGOQSF-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-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
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N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
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N-[3-(aminomethyl)phenyl]-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668137
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
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2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61226146
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
N-[3-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328323
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide (CID 43581196) is N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide is CC(C(=O)Nc1cccc(CN)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The InChIKey is YNZGFFOJVGOQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11(17-5-7-21(19,20)8-6-17)14(18)16-13-4-2-3-12(9-13)10-15/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide 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-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide is sourced from PubChem (CID 43581196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).