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

C15H29NO2S — CID 11077048

IUPAC2-decyl-1,3-thiazinane-4-carboxylic acid
SMILESCCCCCCCCCCC1NC(C(=O)O)CCS1
InChIInChI=1S/C15H29NO2S/c1-2-3-4-5-6-7-8-9-10-14-16-13(15(17)18)11-12-19-14/h13-14,16H,2-12H2,1H3,(H,17,18)
InChIKeyCXTNXTRJHSQDHF-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.02
Rot. Bonds10

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

2-decyl-1,3-thiazinane-4-carboxylic acid (PubChem CID 11077048) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-decyl-1,3-thiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-decyl-1,3-thiazinane-4-carboxylic acid
PubChem CID11077048
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-decyl-1,3-thiazinane-4-carboxylic acid
SMILESCCCCCCCCCCC1NC(C(=O)O)CCS1
InChIInChI=1S/C15H29NO2S/c1-2-3-4-5-6-7-8-9-10-14-16-13(15(17)18)11-12-19-14/h13-14,16H,2-12H2,1H3,(H,17,18)
InChIKeyCXTNXTRJHSQDHF-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-decyl-1,3-thiazinane-4-carboxylic acid?
The IUPAC name of 2-decyl-1,3-thiazinane-4-carboxylic acid (CID 11077048) is 2-decyl-1,3-thiazinane-4-carboxylic acid.
What is the SMILES notation for 2-decyl-1,3-thiazinane-4-carboxylic acid?
The canonical SMILES for 2-decyl-1,3-thiazinane-4-carboxylic acid is CCCCCCCCCCC1NC(C(=O)O)CCS1.
What is the InChIKey of 2-decyl-1,3-thiazinane-4-carboxylic acid?
The InChIKey is CXTNXTRJHSQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-3-4-5-6-7-8-9-10-14-16-13(15(17)18)11-12-19-14/h13-14,16H,2-12H2,1H3,(H,17,18).
What are the key properties of 2-decyl-1,3-thiazinane-4-carboxylic acid?
2-decyl-1,3-thiazinane-4-carboxylic acid has a molecular weight of 287.47 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1,3-thiazinane-4-carboxylic acid is sourced from PubChem (CID 11077048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).