1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid

C13H26N2O4S — CID 43361681

IUPAC1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H26N2O4S/c1-3-4-11-15(2)20(18,19)14-13(12(16)17)9-7-5-6-8-10-13/h14H,3-11H2,1-2H3,(H,16,17)
InChIKeyUKIGOIRHIFVEFY-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.73
Rot. Bonds7

About 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid

1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 43361681) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid
PubChem CID43361681
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H26N2O4S/c1-3-4-11-15(2)20(18,19)14-13(12(16)17)9-7-5-6-8-10-13/h14H,3-11H2,1-2H3,(H,16,17)
InChIKeyUKIGOIRHIFVEFY-UHFFFAOYSA-N
XLogP1.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid (CID 43361681) is 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid is CCCCN(C)S(=O)(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is UKIGOIRHIFVEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-3-4-11-15(2)20(18,19)14-13(12(16)17)9-7-5-6-8-10-13/h14H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid?
1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 306.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)sulfamoyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43361681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).