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

C11H22N2O3S — CID 119337436

IUPAC(2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C11H22N2O3S/c1-8(2)9(12)10(14)13-5-6-17(15,16)11(3,4)7-13/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1
InChIKeyDOOUHTMGGPUKJZ-VIFPVBQESA-N
MW262.38 g/mol
LogP0.01
Rot. Bonds2

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

(2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one (PubChem CID 119337436) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one
PubChem CID119337436
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC Name(2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C11H22N2O3S/c1-8(2)9(12)10(14)13-5-6-17(15,16)11(3,4)7-13/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1
InChIKeyDOOUHTMGGPUKJZ-VIFPVBQESA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one with MolForge

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Related Compounds

2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 119337416
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(oxan-4-yl)ethanone
CID 120795298
(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 79013019
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one;hydrochloride
CID 119337411
3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 119337414
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
(2S)-2-amino-3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
CID 87843578
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-methylbutan-1-one
CID 107220163
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one (CID 119337436) is (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)N1CCS(=O)(=O)C(C)(C)C1.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one?
The InChIKey is DOOUHTMGGPUKJZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8(2)9(12)10(14)13-5-6-17(15,16)11(3,4)7-13/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one?
(2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one has a molecular weight of 262.38 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one is sourced from PubChem (CID 119337436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).