2-methyl-1,3-thiazinane-4-carboxylic acid

C6H11NO2S — CID 60921112

IUPAC2-methyl-1,3-thiazinane-4-carboxylic acid
SMILESCC1NC(C(=O)O)CCS1
InChIInChI=1S/C6H11NO2S/c1-4-7-5(6(8)9)2-3-10-4/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyNNWHFTTZUVDJCA-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.51
Rot. Bonds1

About 2-methyl-1,3-thiazinane-4-carboxylic acid

2-methyl-1,3-thiazinane-4-carboxylic acid (PubChem CID 60921112) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-methyl-1,3-thiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,3-thiazinane-4-carboxylic acid
PubChem CID60921112
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2-methyl-1,3-thiazinane-4-carboxylic acid
SMILESCC1NC(C(=O)O)CCS1
InChIInChI=1S/C6H11NO2S/c1-4-7-5(6(8)9)2-3-10-4/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyNNWHFTTZUVDJCA-UHFFFAOYSA-N
XLogP0.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazinane-4-carboxylic acid?
The IUPAC name of 2-methyl-1,3-thiazinane-4-carboxylic acid (CID 60921112) is 2-methyl-1,3-thiazinane-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1,3-thiazinane-4-carboxylic acid?
The canonical SMILES for 2-methyl-1,3-thiazinane-4-carboxylic acid is CC1NC(C(=O)O)CCS1.
What is the InChIKey of 2-methyl-1,3-thiazinane-4-carboxylic acid?
The InChIKey is NNWHFTTZUVDJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-7-5(6(8)9)2-3-10-4/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-methyl-1,3-thiazinane-4-carboxylic acid?
2-methyl-1,3-thiazinane-4-carboxylic acid has a molecular weight of 161.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazinane-4-carboxylic acid is sourced from PubChem (CID 60921112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).