4-sulfamoylazepane-1-carboxylic acid

C7H14N2O4S — CID 155100519

IUPAC4-sulfamoylazepane-1-carboxylic acid
SMILESNS(=O)(=O)C1CCCN(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c8-14(12,13)6-2-1-4-9(5-3-6)7(10)11/h6H,1-5H2,(H,10,11)(H2,8,12,13)
InChIKeyJTQVXNMOEXMCTC-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.19
Rot. Bonds1

About 4-sulfamoylazepane-1-carboxylic acid

4-sulfamoylazepane-1-carboxylic acid (PubChem CID 155100519) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-sulfamoylazepane-1-carboxylic acid.

Molecular Properties

Compound Name4-sulfamoylazepane-1-carboxylic acid
PubChem CID155100519
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name4-sulfamoylazepane-1-carboxylic acid
SMILESNS(=O)(=O)C1CCCN(C(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c8-14(12,13)6-2-1-4-9(5-3-6)7(10)11/h6H,1-5H2,(H,10,11)(H2,8,12,13)
InChIKeyJTQVXNMOEXMCTC-UHFFFAOYSA-N
XLogP-0.19
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoylazepane-1-carboxylic acid?
The IUPAC name of 4-sulfamoylazepane-1-carboxylic acid (CID 155100519) is 4-sulfamoylazepane-1-carboxylic acid.
What is the SMILES notation for 4-sulfamoylazepane-1-carboxylic acid?
The canonical SMILES for 4-sulfamoylazepane-1-carboxylic acid is NS(=O)(=O)C1CCCN(C(=O)O)CC1.
What is the InChIKey of 4-sulfamoylazepane-1-carboxylic acid?
The InChIKey is JTQVXNMOEXMCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c8-14(12,13)6-2-1-4-9(5-3-6)7(10)11/h6H,1-5H2,(H,10,11)(H2,8,12,13).
What are the key properties of 4-sulfamoylazepane-1-carboxylic acid?
4-sulfamoylazepane-1-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoylazepane-1-carboxylic acid is sourced from PubChem (CID 155100519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).