tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate

C9H20N2O4S — CID 103821556

IUPACtert-butyl (2S)-2-(ethylsulfamoylamino)propanoate
SMILESCCNS(=O)(=O)N[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-6-10-16(13,14)11-7(2)8(12)15-9(3,4)5/h7,10-11H,6H2,1-5H3/t7-/m0/s1
InChIKeyMDKMBLZWSRCULP-ZETCQYMHSA-N
MW252.34 g/mol
LogP0.16
Rot. Bonds5

About tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate

tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate (PubChem CID 103821556) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(ethylsulfamoylamino)propanoate
PubChem CID103821556
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Nametert-butyl (2S)-2-(ethylsulfamoylamino)propanoate
SMILESCCNS(=O)(=O)N[C@@H](C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O4S/c1-6-10-16(13,14)11-7(2)8(12)15-9(3,4)5/h7,10-11H,6H2,1-5H3/t7-/m0/s1
InChIKeyMDKMBLZWSRCULP-ZETCQYMHSA-N
XLogP0.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate?
The IUPAC name of tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate (CID 103821556) is tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate.
What is the SMILES notation for tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate?
The canonical SMILES for tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate is CCNS(=O)(=O)N[C@@H](C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate?
The InChIKey is MDKMBLZWSRCULP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-6-10-16(13,14)11-7(2)8(12)15-9(3,4)5/h7,10-11H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate?
tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate has a molecular weight of 252.34 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate is sourced from PubChem (CID 103821556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).