3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid

C10H20N2O4S — CID 63258358

IUPAC3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
SMILESNC1CCCCCC1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O4S/c11-8-4-2-1-3-5-9(8)12-17(15,16)7-6-10(13)14/h8-9,12H,1-7,11H2,(H,13,14)
InChIKeyLSENWINDNAQXLM-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.04
Rot. Bonds5

About 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid

3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid (PubChem CID 63258358) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
PubChem CID63258358
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
SMILESNC1CCCCCC1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O4S/c11-8-4-2-1-3-5-9(8)12-17(15,16)7-6-10(13)14/h8-9,12H,1-7,11H2,(H,13,14)
InChIKeyLSENWINDNAQXLM-UHFFFAOYSA-N
XLogP0.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid (CID 63258358) is 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid is NC1CCCCCC1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid?
The InChIKey is LSENWINDNAQXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c11-8-4-2-1-3-5-9(8)12-17(15,16)7-6-10(13)14/h8-9,12H,1-7,11H2,(H,13,14).
What are the key properties of 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid?
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 63258358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).