(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone

C13H18N2O3S — CID 102883338

IUPAC(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-10-9-19(17,18)8-7-15(10)13(16)12(14)11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3/t10?,12-/m0/s1
InChIKeyYGKGLLPNHYTSRK-KFJBMODSSA-N
MW282.36 g/mol
LogP0.33
Rot. Bonds2

About (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone

(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone (PubChem CID 102883338) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
PubChem CID102883338
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-10-9-19(17,18)8-7-15(10)13(16)12(14)11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3/t10?,12-/m0/s1
InChIKeyYGKGLLPNHYTSRK-KFJBMODSSA-N
XLogP0.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 717229
(4-Ethylsulfonylpiperazin-1-yl)-phenylmethanone
CID 770518
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide
CID 2999123
3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 3476149
N-[(2R)-1-(cyanomethylamino)-3-(2-methylpropylsulfonyl)-1-oxopropan-2-yl]benzamide
CID 60148518
N-[1-(cyanomethylamino)-3-(2-methylpropylsulfonyl)-1-oxopropan-2-yl]benzamide
CID 60166364
2-acetamido-N-[(E)-3-methylsulfonylprop-2-enyl]-3-phenylpropanamide
CID 44266957
N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 71449009
N-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)acetamide
CID 16799580
3-[(4-methylbenzyl)sulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 3240303
N-[1-(4-methylpiperidin-1-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2-phenylethene-1-sulfonamide
CID 5742507
(2S)-1-benzylsulfonyl-N-propan-2-ylpiperidine-2-carboxamide
CID 134156211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone (CID 102883338) is (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone is CC1CS(=O)(=O)CCN1C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone?
The InChIKey is YGKGLLPNHYTSRK-KFJBMODSSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-9-19(17,18)8-7-15(10)13(16)12(14)11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3/t10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone?
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone has a molecular weight of 282.36 g/mol, XLogP of 0.33, 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-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone is sourced from PubChem (CID 102883338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).