methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

C14H25NO4S — CID 1477150

IUPACmethyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCOC(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H25NO4S/c1-19-14(16)13(11-12-5-3-2-4-6-12)15-7-9-20(17,18)10-8-15/h12-13H,2-11H2,1H3/t13-/m1/s1
InChIKeyUAGMLGQKPYCMOT-CYBMUJFWSA-N
MW303.42 g/mol
LogP1.23
Rot. Bonds4

About methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (PubChem CID 1477150) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
PubChem CID1477150
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Namemethyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCOC(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H25NO4S/c1-19-14(16)13(11-12-5-3-2-4-6-12)15-7-9-20(17,18)10-8-15/h12-13H,2-11H2,1H3/t13-/m1/s1
InChIKeyUAGMLGQKPYCMOT-CYBMUJFWSA-N
XLogP1.23
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl 3-(azepan-1-yl)-2-(1,1-dioxothian-4-yl)propanoate
CID 117239589
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate
CID 3288684
methyl (2R)-3-amino-2-piperidin-1-ylpropanoate
CID 86664944
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
2-(1-cyclohexylpropan-2-ylimino)-N-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 123540921
methyl 3-cyclopentyl-2-(4-methylsulfonylimidazol-1-yl)propanoate
CID 67314595
methyl 2-(cyclohexylmethyl)-3-hydroxy-3-methylbutanoate
CID 164683725
methyl 3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
CID 67130816
methyl 4-hydroxy-2-piperidin-1-ylbutanoate
CID 105453618
methyl (2S)-3-cyclopentyl-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoate
CID 11992184

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The IUPAC name of methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (CID 1477150) is methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.
What is the SMILES notation for methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The canonical SMILES for methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is COC(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The InChIKey is UAGMLGQKPYCMOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-19-14(16)13(11-12-5-3-2-4-6-12)15-7-9-20(17,18)10-8-15/h12-13H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate has a molecular weight of 303.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is sourced from PubChem (CID 1477150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).