2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

C6H11NO4S — CID 95970256

IUPAC2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CS(=O)(=O)CCN1
InChIInChI=1S/C6H11NO4S/c8-6(9)3-5-4-12(10,11)2-1-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
InChIKeyPCUGNWPHLMMPCS-RXMQYKEDSA-N
MW193.22 g/mol
LogP-1.15
Rot. Bonds2

About 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid (PubChem CID 95970256) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
PubChem CID95970256
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1CS(=O)(=O)CCN1
InChIInChI=1S/C6H11NO4S/c8-6(9)3-5-4-12(10,11)2-1-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
InChIKeyPCUGNWPHLMMPCS-RXMQYKEDSA-N
XLogP-1.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-propan-2-ylamino]acetic acid
CID 80520157
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid
CID 80522088
1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-phenylpropan-2-one
CID 116595361
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
CID 116595583
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
CID 80519969
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80520223
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518970
(2S)-1-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 80520090
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 80520889

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid (CID 95970256) is 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid is O=C(O)C[C@@H]1CS(=O)(=O)CCN1.
What is the InChIKey of 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid?
The InChIKey is PCUGNWPHLMMPCS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO4S/c8-6(9)3-5-4-12(10,11)2-1-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1.
What are the key properties of 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid?
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid has a molecular weight of 193.22 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid is sourced from PubChem (CID 95970256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).