2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid

C15H27NO2S — CID 104575610

IUPAC2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid
SMILESCC(C)(C)C1CCC(C2NC(C(=O)O)CCS2)CC1
InChIInChI=1S/C15H27NO2S/c1-15(2,3)11-6-4-10(5-7-11)13-16-12(14(17)18)8-9-19-13/h10-13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyCFWMUIXRLFDXQZ-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.34
Rot. Bonds2

About 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid

2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid (PubChem CID 104575610) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid
PubChem CID104575610
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid
SMILESCC(C)(C)C1CCC(C2NC(C(=O)O)CCS2)CC1
InChIInChI=1S/C15H27NO2S/c1-15(2,3)11-6-4-10(5-7-11)13-16-12(14(17)18)8-9-19-13/h10-13,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyCFWMUIXRLFDXQZ-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride
CID 121230879
2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
CID 2732227
(2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
CID 710168
(4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid
CID 107774073
2-(2-methoxy-2-methylpropyl)-1,3-thiazinane-4-carboxylic acid
CID 106676060
4-(4-tert-butylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 104575954
2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid
CID 104575992
(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 62386285
2-cyclopropyl-4-methyl-1,3-thiazinane
CID 66233555
2-phenyl-1,3-thiazinane-4-carboxylic acid
CID 60919404
trans-(1R,3R)-3-tert-butylcyclopentane-1-carboxylic acid
CID 15315966
(2S)-7-tert-butylazepane-2-carboxylic acid
CID 130713727

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid (CID 104575610) is 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid is CC(C)(C)C1CCC(C2NC(C(=O)O)CCS2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid?
The InChIKey is CFWMUIXRLFDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-15(2,3)11-6-4-10(5-7-11)13-16-12(14(17)18)8-9-19-13/h10-13,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid?
2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid has a molecular weight of 285.45 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid is sourced from PubChem (CID 104575610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).