methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate

C14H19NO4S — CID 115462600

IUPACmethyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19NO4S/c1-19-14(16)10-12-4-2-3-5-13(12)11-15-6-8-20(17,18)9-7-15/h2-5H,6-11H2,1H3
InChIKeyLSCDKHCKRUPSOE-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.63
Rot. Bonds4

About methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate

methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate (PubChem CID 115462600) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
PubChem CID115462600
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19NO4S/c1-19-14(16)10-12-4-2-3-5-13(12)11-15-6-8-20(17,18)9-7-15/h2-5H,6-11H2,1H3
InChIKeyLSCDKHCKRUPSOE-UHFFFAOYSA-N
XLogP0.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]acetate
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methyl 2-[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462840
methyl 2-[2-[(2,3-dimethylthiomorpholin-4-yl)methyl]phenyl]acetate
CID 115756205
methyl 2-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetate
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2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
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methyl 2-[2-[(5-methyl-2-oxoazepan-1-yl)methyl]phenyl]acetate
CID 115461206

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate (CID 115462600) is methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN1CCS(=O)(=O)CC1.
What is the InChIKey of methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate?
The InChIKey is LSCDKHCKRUPSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-19-14(16)10-12-4-2-3-5-13(12)11-15-6-8-20(17,18)9-7-15/h2-5H,6-11H2,1H3.
What are the key properties of methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate?
methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate has a molecular weight of 297.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate is sourced from PubChem (CID 115462600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).