ethyl 2-(butylsulfonylamino)acetate

C8H17NO4S — CID 19681626

IUPACethyl 2-(butylsulfonylamino)acetate
SMILESCCCCS(=O)(=O)NCC(=O)OCC
InChIInChI=1S/C8H17NO4S/c1-3-5-6-14(11,12)9-7-8(10)13-4-2/h9H,3-7H2,1-2H3
InChIKeyRDVMBNDZOXABCB-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.27
Rot. Bonds7

About ethyl 2-(butylsulfonylamino)acetate

ethyl 2-(butylsulfonylamino)acetate (PubChem CID 19681626) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is ethyl 2-(butylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(butylsulfonylamino)acetate
PubChem CID19681626
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Nameethyl 2-(butylsulfonylamino)acetate
SMILESCCCCS(=O)(=O)NCC(=O)OCC
InChIInChI=1S/C8H17NO4S/c1-3-5-6-14(11,12)9-7-8(10)13-4-2/h9H,3-7H2,1-2H3
InChIKeyRDVMBNDZOXABCB-UHFFFAOYSA-N
XLogP0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(butylsulfonylamino)acetate (CID 19681626) is ethyl 2-(butylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(butylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(butylsulfonylamino)acetate is CCCCS(=O)(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(butylsulfonylamino)acetate?
The InChIKey is RDVMBNDZOXABCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-5-6-14(11,12)9-7-8(10)13-4-2/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(butylsulfonylamino)acetate?
ethyl 2-(butylsulfonylamino)acetate has a molecular weight of 223.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butylsulfonylamino)acetate is sourced from PubChem (CID 19681626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).