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

C11H22N2O3S — CID 113266999

IUPAC(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
SMILESCC1CS(=O)(=O)CCN1C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H22N2O3S/c1-8-7-17(15,16)6-5-13(8)10(14)9(12)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8?,9-/m1/s1
InChIKeyJYPQFPKFKXRDKW-YGPZHTELSA-N
MW262.37 g/mol
LogP0.01
Rot. Bonds1

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

(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one (PubChem CID 113266999) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
PubChem CID113266999
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
SMILESCC1CS(=O)(=O)CCN1C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H22N2O3S/c1-8-7-17(15,16)6-5-13(8)10(14)9(12)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8?,9-/m1/s1
InChIKeyJYPQFPKFKXRDKW-YGPZHTELSA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one
CID 61148706
2,2-dimethyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]butanamide
CID 56790591
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
2-Amino-4-methylsulfonyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 61260888
3-Ethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 18338688
2-Amino-1-(1,1-dioxo-1l6-thiomorpholin-4-yl)-butan-1-one
CID 43649669
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-3,3-dimethylbutanamide
CID 57892982
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfonylethyl)butanamide
CID 58124542
(2S)-2-amino-3-methyl-N-(3-methylsulfonylpropyl)butanamide
CID 61163657
(2S)-2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 65811799
(2S)-2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 66548466
(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)propan-1-one
CID 68273119

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one (CID 113266999) is (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one is CC1CS(=O)(=O)CCN1C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one?
The InChIKey is JYPQFPKFKXRDKW-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8-7-17(15,16)6-5-13(8)10(14)9(12)11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one?
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one has a molecular weight of 262.37 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one is sourced from PubChem (CID 113266999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).