ethyl 3-(2-propylsulfonylethylamino)propanoate

C10H21NO4S — CID 106723560

IUPACethyl 3-(2-propylsulfonylethylamino)propanoate
SMILESCCCS(=O)(=O)CCNCCC(=O)OCC
InChIInChI=1S/C10H21NO4S/c1-3-8-16(13,14)9-7-11-6-5-10(12)15-4-2/h11H,3-9H2,1-2H3
InChIKeyUHDUPLFTPZGHMC-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.35
Rot. Bonds9

About ethyl 3-(2-propylsulfonylethylamino)propanoate

ethyl 3-(2-propylsulfonylethylamino)propanoate (PubChem CID 106723560) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is ethyl 3-(2-propylsulfonylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-propylsulfonylethylamino)propanoate
PubChem CID106723560
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Nameethyl 3-(2-propylsulfonylethylamino)propanoate
SMILESCCCS(=O)(=O)CCNCCC(=O)OCC
InChIInChI=1S/C10H21NO4S/c1-3-8-16(13,14)9-7-11-6-5-10(12)15-4-2/h11H,3-9H2,1-2H3
InChIKeyUHDUPLFTPZGHMC-UHFFFAOYSA-N
XLogP0.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-propylsulfonylethylamino)acetate
CID 106722896
ethyl 3-(octylamino)propanoate
CID 46318537
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
ethyl 2-propylsulfonylacetate
CID 21245347
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
ethyl 3-butylsulfonylpropanoate
CID 42647324
ethyl 3-(2-isocyanoethylamino)propanoate
CID 123252749
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
ethyl 3-(2-hydroxypropylamino)propanoate
CID 43389838
ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
1-(ethylamino)-5-propylsulfonylpentan-3-one
CID 106736352

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-propylsulfonylethylamino)propanoate?
The IUPAC name of ethyl 3-(2-propylsulfonylethylamino)propanoate (CID 106723560) is ethyl 3-(2-propylsulfonylethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-propylsulfonylethylamino)propanoate?
The canonical SMILES for ethyl 3-(2-propylsulfonylethylamino)propanoate is CCCS(=O)(=O)CCNCCC(=O)OCC.
What is the InChIKey of ethyl 3-(2-propylsulfonylethylamino)propanoate?
The InChIKey is UHDUPLFTPZGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-8-16(13,14)9-7-11-6-5-10(12)15-4-2/h11H,3-9H2,1-2H3.
What are the key properties of ethyl 3-(2-propylsulfonylethylamino)propanoate?
ethyl 3-(2-propylsulfonylethylamino)propanoate has a molecular weight of 251.35 g/mol, XLogP of 0.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-propylsulfonylethylamino)propanoate is sourced from PubChem (CID 106723560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).