(1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C14H25NO4S — CID 58283329

IUPAC(1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCC(C)C1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C14H25NO4S/c1-12(2)14(5-3-4-6-14)19-13(16)11-15-7-9-20(17,18)10-8-15/h12H,3-11H2,1-2H3
InChIKeyPZDNQXNGQUVJEL-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.23
Rot. Bonds4

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

(1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 58283329) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID58283329
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name(1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCC(C)C1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C14H25NO4S/c1-12(2)14(5-3-4-6-14)19-13(16)11-15-7-9-20(17,18)10-8-15/h12H,3-11H2,1-2H3
InChIKeyPZDNQXNGQUVJEL-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 58283329) is (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is CC(C)C1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is PZDNQXNGQUVJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-12(2)14(5-3-4-6-14)19-13(16)11-15-7-9-20(17,18)10-8-15/h12H,3-11H2,1-2H3.
What are the key properties of (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
(1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate 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 (1-propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 58283329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).