[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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Related Compounds

[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55701508
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906852
[2-(cycloheptylamino)-2-oxoethyl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 4194818
[2-(cycloheptylamino)-2-oxoethyl] 2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98362648
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetate
CID 33286311
[2-(cyclooctylamino)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 35776839
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47284297
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906700
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
ethyl 4-[[2-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 55398630
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7902260
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203

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).