2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C8H16N2O3S — CID 119337416

IUPAC2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1(C)CN(C(=O)CN)CCS1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-8(2)6-10(7(11)5-9)3-4-14(8,12)13/h3-6,9H2,1-2H3
InChIKeyBUCWPCXNIVAGNX-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.02
Rot. Bonds1

About 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 119337416) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID119337416
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1(C)CN(C(=O)CN)CCS1(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-8(2)6-10(7(11)5-9)3-4-14(8,12)13/h3-6,9H2,1-2H3
InChIKeyBUCWPCXNIVAGNX-UHFFFAOYSA-N
XLogP-1.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 119337414
2-(4-aminophenyl)-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone;hydrochloride
CID 119807902
(2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one
CID 119337436
[4-(aminomethyl)phenyl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 119337424
1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone
CID 119807938
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 120795296
(3-aminocyclopentyl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 119807906
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(oxan-4-yl)ethanone
CID 120795298
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 136514257
2-tert-butylsulfonyl-1-(7,7-dimethyl-1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 136537108

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 119337416) is 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC1(C)CN(C(=O)CN)CCS1(=O)=O.
What is the InChIKey of 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is BUCWPCXNIVAGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-8(2)6-10(7(11)5-9)3-4-14(8,12)13/h3-6,9H2,1-2H3.
What are the key properties of 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 220.29 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 119337416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).