ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate

C12H23NO5S — CID 62047555

IUPACethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H23NO5S/c1-4-18-12(14)9-13(10(2)3)19(15,16)11-5-7-17-8-6-11/h10-11H,4-9H2,1-3H3
InChIKeyUUIABKAMXAKKNI-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.77
Rot. Bonds6

About ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate

ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate (PubChem CID 62047555) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate
PubChem CID62047555
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Nameethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H23NO5S/c1-4-18-12(14)9-13(10(2)3)19(15,16)11-5-7-17-8-6-11/h10-11H,4-9H2,1-3H3
InChIKeyUUIABKAMXAKKNI-UHFFFAOYSA-N
XLogP0.77
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate (CID 62047555) is ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate?
The InChIKey is UUIABKAMXAKKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-4-18-12(14)9-13(10(2)3)19(15,16)11-5-7-17-8-6-11/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate?
ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate has a molecular weight of 293.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 62047555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).