methyl 2-(2-propylsulfonylethylamino)acetate

C8H17NO4S — CID 106722896

IUPACmethyl 2-(2-propylsulfonylethylamino)acetate
SMILESCCCS(=O)(=O)CCNCC(=O)OC
InChIInChI=1S/C8H17NO4S/c1-3-5-14(11,12)6-4-9-7-8(10)13-2/h9H,3-7H2,1-2H3
InChIKeyZXEVXBNLMKEKBG-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.43
Rot. Bonds7

About methyl 2-(2-propylsulfonylethylamino)acetate

methyl 2-(2-propylsulfonylethylamino)acetate (PubChem CID 106722896) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is methyl 2-(2-propylsulfonylethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-propylsulfonylethylamino)acetate
PubChem CID106722896
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Namemethyl 2-(2-propylsulfonylethylamino)acetate
SMILESCCCS(=O)(=O)CCNCC(=O)OC
InChIInChI=1S/C8H17NO4S/c1-3-5-14(11,12)6-4-9-7-8(10)13-2/h9H,3-7H2,1-2H3
InChIKeyZXEVXBNLMKEKBG-UHFFFAOYSA-N
XLogP-0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.43
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

ethyl 3-(2-propylsulfonylethylamino)propanoate
CID 106723560
N-[2-(2-propylsulfonylethylamino)ethyl]acetamide
CID 106723232
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
N-(2-propylsulfonylethyl)acetamide
CID 142065321
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522
1-propylsulfonylpropane
CID 11709
2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine
CID 106724468
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
methyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 22364296
propylamino 3-[(2-methoxy-2-oxoethyl)amino]propanoate
CID 166650852
methyl 2-[3-(dimethylamino)propylamino]acetate
CID 28583744

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-propylsulfonylethylamino)acetate?
The IUPAC name of methyl 2-(2-propylsulfonylethylamino)acetate (CID 106722896) is methyl 2-(2-propylsulfonylethylamino)acetate.
What is the SMILES notation for methyl 2-(2-propylsulfonylethylamino)acetate?
The canonical SMILES for methyl 2-(2-propylsulfonylethylamino)acetate is CCCS(=O)(=O)CCNCC(=O)OC.
What is the InChIKey of methyl 2-(2-propylsulfonylethylamino)acetate?
The InChIKey is ZXEVXBNLMKEKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-5-14(11,12)6-4-9-7-8(10)13-2/h9H,3-7H2,1-2H3.
What are the key properties of methyl 2-(2-propylsulfonylethylamino)acetate?
methyl 2-(2-propylsulfonylethylamino)acetate has a molecular weight of 223.29 g/mol, XLogP of -0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-propylsulfonylethylamino)acetate is sourced from PubChem (CID 106722896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).