2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C16H19NO6S — CID 51039215

IUPAC2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCCS(=O)(=O)NO)ccc2c1
InChIInChI=1S/C16H19NO6S/c1-11(16(18)23-7-8-24(20,21)17-19)12-3-4-14-10-15(22-2)6-5-13(14)9-12/h3-6,9-11,17,19H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyBKUUEWCEULMOMM-NSHDSACASA-N
MW353.40 g/mol
LogP1.80
Rot. Bonds7

About 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 51039215) has the molecular formula C16H19NO6S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID51039215
Molecular FormulaC16H19NO6S
Molecular Weight353.40 g/mol
Exact Mass353.09
IUPAC Name2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCCS(=O)(=O)NO)ccc2c1
InChIInChI=1S/C16H19NO6S/c1-11(16(18)23-7-8-24(20,21)17-19)12-3-4-14-10-15(22-2)6-5-13(14)9-12/h3-6,9-11,17,19H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyBKUUEWCEULMOMM-NSHDSACASA-N
XLogP1.80
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 51039215) is 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCCS(=O)(=O)NO)ccc2c1.
What is the InChIKey of 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is BKUUEWCEULMOMM-NSHDSACASA-N. The full InChI is InChI=1S/C16H19NO6S/c1-11(16(18)23-7-8-24(20,21)17-19)12-3-4-14-10-15(22-2)6-5-13(14)9-12/h3-6,9-11,17,19H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 353.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxysulfamoyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 51039215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).