(2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate

C11H17NO6S — CID 87157036

IUPAC(2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate
SMILESO=C(CCN=S(=O)=O)OCC(=O)OC1CCCCC1
InChIInChI=1S/C11H17NO6S/c13-10(6-7-12-19(15)16)17-8-11(14)18-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyZJQRXQCSPCOATG-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.86
Rot. Bonds6

About (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate

(2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate (PubChem CID 87157036) has the molecular formula C11H17NO6S and a molecular weight of 291.32 g/mol. Its IUPAC name is (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate.

Molecular Properties

Compound Name(2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate
PubChem CID87157036
Molecular FormulaC11H17NO6S
Molecular Weight291.32 g/mol
Exact Mass291.08
IUPAC Name(2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate
SMILESO=C(CCN=S(=O)=O)OCC(=O)OC1CCCCC1
InChIInChI=1S/C11H17NO6S/c13-10(6-7-12-19(15)16)17-8-11(14)18-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyZJQRXQCSPCOATG-UHFFFAOYSA-N
XLogP0.86
TPSA99.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate?
The IUPAC name of (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate (CID 87157036) is (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate.
What is the SMILES notation for (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate?
The canonical SMILES for (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate is O=C(CCN=S(=O)=O)OCC(=O)OC1CCCCC1.
What is the InChIKey of (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate?
The InChIKey is ZJQRXQCSPCOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S/c13-10(6-7-12-19(15)16)17-8-11(14)18-9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate?
(2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate has a molecular weight of 291.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate is sourced from PubChem (CID 87157036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).