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

C9H17NO2S — CID 80500865

IUPAC2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid
SMILESCC(C)C1(C)NC(C(=O)O)CCS1
InChIInChI=1S/C9H17NO2S/c1-6(2)9(3)10-7(8(11)12)4-5-13-9/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyFCTLBIHUDFPAIA-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.54
Rot. Bonds2

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

2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid (PubChem CID 80500865) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid
PubChem CID80500865
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid
SMILESCC(C)C1(C)NC(C(=O)O)CCS1
InChIInChI=1S/C9H17NO2S/c1-6(2)9(3)10-7(8(11)12)4-5-13-9/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyFCTLBIHUDFPAIA-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid?
The IUPAC name of 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid (CID 80500865) is 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid.
What is the SMILES notation for 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid?
The canonical SMILES for 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid is CC(C)C1(C)NC(C(=O)O)CCS1.
What is the InChIKey of 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid?
The InChIKey is FCTLBIHUDFPAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-6(2)9(3)10-7(8(11)12)4-5-13-9/h6-7,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid?
2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid has a molecular weight of 203.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-1,3-thiazinane-4-carboxylic acid is sourced from PubChem (CID 80500865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).