methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate

C11H19NO4S — CID 154779810

IUPACmethyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)C1CS(=O)(=O)CCN1CC1CCC1
InChIInChI=1S/C11H19NO4S/c1-16-11(13)10-8-17(14,15)6-5-12(10)7-9-3-2-4-9/h9-10H,2-8H2,1H3
InChIKeyVQVACXXLXHYDQM-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.06
Rot. Bonds3

About methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate

methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate (PubChem CID 154779810) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
PubChem CID154779810
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Namemethyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)C1CS(=O)(=O)CCN1CC1CCC1
InChIInChI=1S/C11H19NO4S/c1-16-11(13)10-8-17(14,15)6-5-12(10)7-9-3-2-4-9/h9-10H,2-8H2,1H3
InChIKeyVQVACXXLXHYDQM-UHFFFAOYSA-N
XLogP0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(cyclobutylmethyl)azetidine-2-carboxylate
CID 112581178
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
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CID 62026927
methyl 1-(oxan-4-ylmethyl)pyrrolidine-2-carboxylate
CID 62385917
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl (3R)-1,1-dioxo-4-[(5-phenylthiophen-2-yl)methyl]-1,4-thiazinane-3-carboxylate
CID 99788173
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate
CID 97297853
methyl 1,1-dioxo-4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,4-thiazinane-3-carboxylate
CID 75478093
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
methyl (2S,4S)-4-acetamido-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 42429826
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate?
The IUPAC name of methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate (CID 154779810) is methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate.
What is the SMILES notation for methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate?
The canonical SMILES for methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate is COC(=O)C1CS(=O)(=O)CCN1CC1CCC1.
What is the InChIKey of methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate?
The InChIKey is VQVACXXLXHYDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-16-11(13)10-8-17(14,15)6-5-12(10)7-9-3-2-4-9/h9-10H,2-8H2,1H3.
What are the key properties of methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate?
methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate is sourced from PubChem (CID 154779810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).