2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

C9H18N2O3S — CID 119330760

IUPAC2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC(N)C(=O)N1CCS(=O)(=O)C(C)C1C
InChIInChI=1S/C9H18N2O3S/c1-6(10)9(12)11-4-5-15(13,14)8(3)7(11)2/h6-8H,4-5,10H2,1-3H3
InChIKeyUKWYOLKKJFJLKC-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.63
Rot. Bonds1

About 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (PubChem CID 119330760) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
PubChem CID119330760
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC(N)C(=O)N1CCS(=O)(=O)C(C)C1C
InChIInChI=1S/C9H18N2O3S/c1-6(10)9(12)11-4-5-15(13,14)8(3)7(11)2/h6-8H,4-5,10H2,1-3H3
InChIKeyUKWYOLKKJFJLKC-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 119330766
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 119796383
2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one
CID 115734514
3-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119951836
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 119796384
2-[4-[(2S)-2-aminopropanoyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80518932
(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120934209
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 104939664
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (CID 119330760) is 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is CC(N)C(=O)N1CCS(=O)(=O)C(C)C1C.
What is the InChIKey of 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The InChIKey is UKWYOLKKJFJLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-6(10)9(12)11-4-5-15(13,14)8(3)7(11)2/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one has a molecular weight of 234.32 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is sourced from PubChem (CID 119330760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).