ethyl 4-(propylsulfamoylamino)butanoate

C9H20N2O4S — CID 114811586

IUPACethyl 4-(propylsulfamoylamino)butanoate
SMILESCCCNS(=O)(=O)NCCCC(=O)OCC
InChIInChI=1S/C9H20N2O4S/c1-3-7-10-16(13,14)11-8-5-6-9(12)15-4-2/h10-11H,3-8H2,1-2H3
InChIKeyRADYJCKAXDWFDI-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.16
Rot. Bonds9

About ethyl 4-(propylsulfamoylamino)butanoate

ethyl 4-(propylsulfamoylamino)butanoate (PubChem CID 114811586) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is ethyl 4-(propylsulfamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(propylsulfamoylamino)butanoate
PubChem CID114811586
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Nameethyl 4-(propylsulfamoylamino)butanoate
SMILESCCCNS(=O)(=O)NCCCC(=O)OCC
InChIInChI=1S/C9H20N2O4S/c1-3-7-10-16(13,14)11-8-5-6-9(12)15-4-2/h10-11H,3-8H2,1-2H3
InChIKeyRADYJCKAXDWFDI-UHFFFAOYSA-N
XLogP0.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Butyl 4-aminobutanoate
CID 14697327
4-Aminobutyric acid 2-(4-amino-butyryloxy)-ethyl ester
CID 129826285
Ethyl 4-(2,2,2-trifluoroethylsulfamoylamino)butanoate
CID 114811585
4-(4-Aminobutanoyloxy)butyl 4-aminobutanoate
CID 9878366
(4-Butoxy-4-oxobutyl)azanium
CID 44373865
Ethyl 4-[(methylsulfonyl)amino]butanoate
CID 53959923
(4-Methoxy-4-oxobutyl)sulfamic acid
CID 87376830
1-Ethoxy-1-oxo-4-(sulfinatoamino)butane
CID 91294709
1-Methoxy-1-oxo-4-(sulfinatoamino)butane
CID 91541700
2-[2-(2-Methoxyethoxy)ethoxy]ethyl 4-aminobutanoate
CID 113427055
Tert-butyl 4-(3-aminopropylsulfamoylamino)butanoate
CID 118426392
4-Aminobutyl 4-aminobutanoate
CID 138478177

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(propylsulfamoylamino)butanoate?
The IUPAC name of ethyl 4-(propylsulfamoylamino)butanoate (CID 114811586) is ethyl 4-(propylsulfamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(propylsulfamoylamino)butanoate?
The canonical SMILES for ethyl 4-(propylsulfamoylamino)butanoate is CCCNS(=O)(=O)NCCCC(=O)OCC.
What is the InChIKey of ethyl 4-(propylsulfamoylamino)butanoate?
The InChIKey is RADYJCKAXDWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-3-7-10-16(13,14)11-8-5-6-9(12)15-4-2/h10-11H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(propylsulfamoylamino)butanoate?
ethyl 4-(propylsulfamoylamino)butanoate has a molecular weight of 252.34 g/mol, XLogP of 0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(propylsulfamoylamino)butanoate is sourced from PubChem (CID 114811586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).