(1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C12H21NO4S — CID 58283269

IUPAC(1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C12H21NO4S/c1-12(4-2-3-5-12)17-11(14)10-13-6-8-18(15,16)9-7-13/h2-10H2,1H3
InChIKeyWGTDUEGUIIUEFS-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.59
Rot. Bonds3

About (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

(1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 58283269) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID58283269
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name(1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C12H21NO4S/c1-12(4-2-3-5-12)17-11(14)10-13-6-8-18(15,16)9-7-13/h2-10H2,1H3
InChIKeyWGTDUEGUIIUEFS-UHFFFAOYSA-N
XLogP0.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 58283269) is (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is CC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is WGTDUEGUIIUEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-12(4-2-3-5-12)17-11(14)10-13-6-8-18(15,16)9-7-13/h2-10H2,1H3.
What are the key properties of (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
(1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 275.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 58283269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).