4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one

C9H18N2O3S — CID 103797329

IUPAC4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
SMILESCC1CS(=O)(=O)CCN1C(=O)CCCN
InChIInChI=1S/C9H18N2O3S/c1-8-7-15(13,14)6-5-11(8)9(12)3-2-4-10/h8H,2-7,10H2,1H3
InChIKeyPMIXJXZPMMMIGJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.63
Rot. Bonds3

About 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one

4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one (PubChem CID 103797329) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
PubChem CID103797329
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
SMILESCC1CS(=O)(=O)CCN1C(=O)CCCN
InChIInChI=1S/C9H18N2O3S/c1-8-7-15(13,14)6-5-11(8)9(12)3-2-4-10/h8H,2-7,10H2,1H3
InChIKeyPMIXJXZPMMMIGJ-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

3-chloro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883010
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
(2S)-2-amino-3-methyl-N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]butanamide
CID 103885017
3-(3-aminophenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102882275
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882184
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 113266999
[4-(2-aminoethyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883272
2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882210
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-one
CID 103831799
3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutanoic acid
CID 102883221

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one?
The IUPAC name of 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one (CID 103797329) is 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one is CC1CS(=O)(=O)CCN1C(=O)CCCN.
What is the InChIKey of 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one?
The InChIKey is PMIXJXZPMMMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8-7-15(13,14)6-5-11(8)9(12)3-2-4-10/h8H,2-7,10H2,1H3.
What are the key properties of 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one?
4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one has a molecular weight of 234.32 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one is sourced from PubChem (CID 103797329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).