ethyl 2-(benzylsulfonylamino)propanoate

C12H17NO4S — CID 61235781

IUPACethyl 2-(benzylsulfonylamino)propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H17NO4S/c1-3-17-12(14)10(2)13-18(15,16)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
InChIKeyHTUSMAKMBPIFGL-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.06
Rot. Bonds6

About ethyl 2-(benzylsulfonylamino)propanoate

ethyl 2-(benzylsulfonylamino)propanoate (PubChem CID 61235781) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 2-(benzylsulfonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(benzylsulfonylamino)propanoate
PubChem CID61235781
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl 2-(benzylsulfonylamino)propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H17NO4S/c1-3-17-12(14)10(2)13-18(15,16)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
InChIKeyHTUSMAKMBPIFGL-UHFFFAOYSA-N
XLogP1.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2S)-2-(benzylsulfonylamino)propanoyl]piperazine-1-carboxylate
CID 110348540
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
CID 82842273
butyl (2S)-2-(benzylsulfonylamino)-4-iodobutanoate
CID 139801299
ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
CID 22956502
ethyl 2-(1-phenylbutan-2-ylamino)propanoate
CID 79008142
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827
N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide
CID 162374202
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylsulfonylamino)propanoate?
The IUPAC name of ethyl 2-(benzylsulfonylamino)propanoate (CID 61235781) is ethyl 2-(benzylsulfonylamino)propanoate.
What is the SMILES notation for ethyl 2-(benzylsulfonylamino)propanoate?
The canonical SMILES for ethyl 2-(benzylsulfonylamino)propanoate is CCOC(=O)C(C)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-(benzylsulfonylamino)propanoate?
The InChIKey is HTUSMAKMBPIFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-17-12(14)10(2)13-18(15,16)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(benzylsulfonylamino)propanoate?
ethyl 2-(benzylsulfonylamino)propanoate has a molecular weight of 271.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylsulfonylamino)propanoate is sourced from PubChem (CID 61235781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).