ethyl 2-(butylsulfonylamino)propanoate

C9H19NO4S — CID 55029020

IUPACethyl 2-(butylsulfonylamino)propanoate
SMILESCCCCS(=O)(=O)NC(C)C(=O)OCC
InChIInChI=1S/C9H19NO4S/c1-4-6-7-15(12,13)10-8(3)9(11)14-5-2/h8,10H,4-7H2,1-3H3
InChIKeyKXGRLVRKMDLZLY-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.66
Rot. Bonds7

About ethyl 2-(butylsulfonylamino)propanoate

ethyl 2-(butylsulfonylamino)propanoate (PubChem CID 55029020) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethyl 2-(butylsulfonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(butylsulfonylamino)propanoate
PubChem CID55029020
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-(butylsulfonylamino)propanoate
SMILESCCCCS(=O)(=O)NC(C)C(=O)OCC
InChIInChI=1S/C9H19NO4S/c1-4-6-7-15(12,13)10-8(3)9(11)14-5-2/h8,10H,4-7H2,1-3H3
InChIKeyKXGRLVRKMDLZLY-UHFFFAOYSA-N
XLogP0.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butylsulfonylamino)propanoate?
The IUPAC name of ethyl 2-(butylsulfonylamino)propanoate (CID 55029020) is ethyl 2-(butylsulfonylamino)propanoate.
What is the SMILES notation for ethyl 2-(butylsulfonylamino)propanoate?
The canonical SMILES for ethyl 2-(butylsulfonylamino)propanoate is CCCCS(=O)(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(butylsulfonylamino)propanoate?
The InChIKey is KXGRLVRKMDLZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-6-7-15(12,13)10-8(3)9(11)14-5-2/h8,10H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(butylsulfonylamino)propanoate?
ethyl 2-(butylsulfonylamino)propanoate has a molecular weight of 237.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butylsulfonylamino)propanoate is sourced from PubChem (CID 55029020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).