2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid

C12H22N2O4S — CID 61358770

IUPAC2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C12H22N2O4S/c15-11(16)9-19(17,18)14-10-4-7-13-12(8-10)5-2-1-3-6-12/h10,13-14H,1-9H2,(H,15,16)
InChIKeyXKXKBZSTPXLOET-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.45
Rot. Bonds4

About 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid

2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid (PubChem CID 61358770) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid
PubChem CID61358770
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C12H22N2O4S/c15-11(16)9-19(17,18)14-10-4-7-13-12(8-10)5-2-1-3-6-12/h10,13-14H,1-9H2,(H,15,16)
InChIKeyXKXKBZSTPXLOET-UHFFFAOYSA-N
XLogP0.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid?
The IUPAC name of 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid (CID 61358770) is 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid?
The canonical SMILES for 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid?
The InChIKey is XKXKBZSTPXLOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-11(16)9-19(17,18)14-10-4-7-13-12(8-10)5-2-1-3-6-12/h10,13-14H,1-9H2,(H,15,16).
What are the key properties of 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid?
2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid has a molecular weight of 290.38 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid is sourced from PubChem (CID 61358770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).