ethyl 2-(propylsulfamoylamino)acetate

C7H16N2O4S — CID 59773974

IUPACethyl 2-(propylsulfamoylamino)acetate
SMILESCCCNS(=O)(=O)NCC(=O)OCC
InChIInChI=1S/C7H16N2O4S/c1-3-5-8-14(11,12)9-6-7(10)13-4-2/h8-9H,3-6H2,1-2H3
InChIKeyLVXUDQDRJWVVKB-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.62
Rot. Bonds7

About ethyl 2-(propylsulfamoylamino)acetate

ethyl 2-(propylsulfamoylamino)acetate (PubChem CID 59773974) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethyl 2-(propylsulfamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(propylsulfamoylamino)acetate
PubChem CID59773974
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Nameethyl 2-(propylsulfamoylamino)acetate
SMILESCCCNS(=O)(=O)NCC(=O)OCC
InChIInChI=1S/C7H16N2O4S/c1-3-5-8-14(11,12)9-6-7(10)13-4-2/h8-9H,3-6H2,1-2H3
InChIKeyLVXUDQDRJWVVKB-UHFFFAOYSA-N
XLogP-0.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl 2-(difluoromethylsulfonylamino)acetate
CID 60816614
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
CID 114804144
butane;diethyl propanedioate
CID 87110467
ethyl propanoate;methanesulfonic acid
CID 159764839
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
N-(5-methyl-1,2-oxazol-3-yl)-2-(propylsulfamoylamino)acetamide
CID 110614648
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
methyl 3-[4-[(2-ethoxy-2-oxoethyl)sulfamoyl]cyclohexyl]-3-oxopropanoate
CID 137371865

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propylsulfamoylamino)acetate?
The IUPAC name of ethyl 2-(propylsulfamoylamino)acetate (CID 59773974) is ethyl 2-(propylsulfamoylamino)acetate.
What is the SMILES notation for ethyl 2-(propylsulfamoylamino)acetate?
The canonical SMILES for ethyl 2-(propylsulfamoylamino)acetate is CCCNS(=O)(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(propylsulfamoylamino)acetate?
The InChIKey is LVXUDQDRJWVVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-3-5-8-14(11,12)9-6-7(10)13-4-2/h8-9H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(propylsulfamoylamino)acetate?
ethyl 2-(propylsulfamoylamino)acetate has a molecular weight of 224.28 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propylsulfamoylamino)acetate is sourced from PubChem (CID 59773974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).