(1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

C15H27NO4S — CID 58283363

IUPAC(1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCCC1(OC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C15H27NO4S/c1-2-15(7-4-3-5-8-15)20-14(17)6-9-16-10-12-21(18,19)13-11-16/h2-13H2,1H3
InChIKeyMVKVGVVEHSVSOQ-UHFFFAOYSA-N
MW317.45 g/mol
LogP1.76
Rot. Bonds5

About (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

(1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (PubChem CID 58283363) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
PubChem CID58283363
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Name(1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCCC1(OC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C15H27NO4S/c1-2-15(7-4-3-5-8-15)20-14(17)6-9-16-10-12-21(18,19)13-11-16/h2-13H2,1H3
InChIKeyMVKVGVVEHSVSOQ-UHFFFAOYSA-N
XLogP1.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The IUPAC name of (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (CID 58283363) is (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.
What is the SMILES notation for (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The canonical SMILES for (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is CCC1(OC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The InChIKey is MVKVGVVEHSVSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c1-2-15(7-4-3-5-8-15)20-14(17)6-9-16-10-12-21(18,19)13-11-16/h2-13H2,1H3.
What are the key properties of (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
(1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate has a molecular weight of 317.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is sourced from PubChem (CID 58283363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).