2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid

C12H15NO4S — CID 4868383

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H15NO4S/c14-12(15)8-13-18(16,17)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,13H,1-4,8H2,(H,14,15)
InChIKeyPRGOXQZJZSHQAS-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.93
Rot. Bonds4

About 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid

2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid (PubChem CID 4868383) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid
PubChem CID4868383
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H15NO4S/c14-12(15)8-13-18(16,17)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,13H,1-4,8H2,(H,14,15)
InChIKeyPRGOXQZJZSHQAS-UHFFFAOYSA-N
XLogP0.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid (CID 4868383) is 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid?
The InChIKey is PRGOXQZJZSHQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-12(15)8-13-18(16,17)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,13H,1-4,8H2,(H,14,15).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid?
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid has a molecular weight of 269.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid is sourced from PubChem (CID 4868383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).