[2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C14H24N2O5S — CID 55998967

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESO=C(COC(=O)CN1CCS(=O)(=O)CC1)NC1CCCCC1
InChIInChI=1S/C14H24N2O5S/c17-13(15-12-4-2-1-3-5-12)11-21-14(18)10-16-6-8-22(19,20)9-7-16/h12H,1-11H2,(H,15,17)
InChIKeyZCUNDXGYWDDDEV-UHFFFAOYSA-N
MW332.42 g/mol
LogP-0.29
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 55998967) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID55998967
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESO=C(COC(=O)CN1CCS(=O)(=O)CC1)NC1CCCCC1
InChIInChI=1S/C14H24N2O5S/c17-13(15-12-4-2-1-3-5-12)11-21-14(18)10-16-6-8-22(19,20)9-7-16/h12H,1-11H2,(H,15,17)
InChIKeyZCUNDXGYWDDDEV-UHFFFAOYSA-N
XLogP-0.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 55998967) is [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is O=C(COC(=O)CN1CCS(=O)(=O)CC1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is ZCUNDXGYWDDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S/c17-13(15-12-4-2-1-3-5-12)11-21-14(18)10-16-6-8-22(19,20)9-7-16/h12H,1-11H2,(H,15,17).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 332.42 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 55998967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).