5-(ethoxycarbonylsulfamoylamino)hexanoic acid

C9H18N2O6S — CID 114463014

IUPAC5-(ethoxycarbonylsulfamoylamino)hexanoic acid
SMILESCCOC(=O)NS(=O)(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C9H18N2O6S/c1-3-17-9(14)11-18(15,16)10-7(2)5-4-6-8(12)13/h7,10H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyZZROEHQSMTVUIW-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.21
Rot. Bonds8

About 5-(ethoxycarbonylsulfamoylamino)hexanoic acid

5-(ethoxycarbonylsulfamoylamino)hexanoic acid (PubChem CID 114463014) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(ethoxycarbonylsulfamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(ethoxycarbonylsulfamoylamino)hexanoic acid
PubChem CID114463014
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name5-(ethoxycarbonylsulfamoylamino)hexanoic acid
SMILESCCOC(=O)NS(=O)(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C9H18N2O6S/c1-3-17-9(14)11-18(15,16)10-7(2)5-4-6-8(12)13/h7,10H,3-6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyZZROEHQSMTVUIW-UHFFFAOYSA-N
XLogP0.21
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
2-(ethoxycarbonylsulfamoylamino)butanedioic acid
CID 114462931
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
CID 114465372
4-(ethoxysulfonylcarbamoyloxy)butanoic acid
CID 169311807
ethyl N-[(1-chloro-4-methylpentan-3-yl)sulfamoyl]carbamate
CID 106356437
ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
CID 114461389
5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
CID 82848167
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxycarbonylsulfamoylamino)hexanoic acid?
The IUPAC name of 5-(ethoxycarbonylsulfamoylamino)hexanoic acid (CID 114463014) is 5-(ethoxycarbonylsulfamoylamino)hexanoic acid.
What is the SMILES notation for 5-(ethoxycarbonylsulfamoylamino)hexanoic acid?
The canonical SMILES for 5-(ethoxycarbonylsulfamoylamino)hexanoic acid is CCOC(=O)NS(=O)(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-(ethoxycarbonylsulfamoylamino)hexanoic acid?
The InChIKey is ZZROEHQSMTVUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-3-17-9(14)11-18(15,16)10-7(2)5-4-6-8(12)13/h7,10H,3-6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 5-(ethoxycarbonylsulfamoylamino)hexanoic acid?
5-(ethoxycarbonylsulfamoylamino)hexanoic acid has a molecular weight of 282.32 g/mol, XLogP of 0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxycarbonylsulfamoylamino)hexanoic acid is sourced from PubChem (CID 114463014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).