ethyl 3-(tert-butylsulfamoylamino)propanoate

C9H20N2O4S — CID 114811568

IUPACethyl 3-(tert-butylsulfamoylamino)propanoate
SMILESCCOC(=O)CCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-5-15-8(12)6-7-10-16(13,14)11-9(2,3)4/h10-11H,5-7H2,1-4H3
InChIKeyKGSQTGXWJGXUJR-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.16
Rot. Bonds6

About ethyl 3-(tert-butylsulfamoylamino)propanoate

ethyl 3-(tert-butylsulfamoylamino)propanoate (PubChem CID 114811568) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is ethyl 3-(tert-butylsulfamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(tert-butylsulfamoylamino)propanoate
PubChem CID114811568
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Nameethyl 3-(tert-butylsulfamoylamino)propanoate
SMILESCCOC(=O)CCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-5-15-8(12)6-7-10-16(13,14)11-9(2,3)4/h10-11H,5-7H2,1-4H3
InChIKeyKGSQTGXWJGXUJR-UHFFFAOYSA-N
XLogP0.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(tert-butylsulfamoylamino)propanoate?
The IUPAC name of ethyl 3-(tert-butylsulfamoylamino)propanoate (CID 114811568) is ethyl 3-(tert-butylsulfamoylamino)propanoate.
What is the SMILES notation for ethyl 3-(tert-butylsulfamoylamino)propanoate?
The canonical SMILES for ethyl 3-(tert-butylsulfamoylamino)propanoate is CCOC(=O)CCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of ethyl 3-(tert-butylsulfamoylamino)propanoate?
The InChIKey is KGSQTGXWJGXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-5-15-8(12)6-7-10-16(13,14)11-9(2,3)4/h10-11H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(tert-butylsulfamoylamino)propanoate?
ethyl 3-(tert-butylsulfamoylamino)propanoate has a molecular weight of 252.34 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(tert-butylsulfamoylamino)propanoate is sourced from PubChem (CID 114811568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).