2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid

C10H19NO4S — CID 43711208

IUPAC2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid
SMILESCCC1CCCCC1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-8-5-3-4-6-9(8)11-16(14,15)7-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeySGGOULCBMLEQMI-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds5

About 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid

2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid (PubChem CID 43711208) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid
PubChem CID43711208
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid
SMILESCCC1CCCCC1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-8-5-3-4-6-9(8)11-16(14,15)7-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeySGGOULCBMLEQMI-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-4-[2-(methylsulfonyl)ethyl]cyclohexanamine TFA salt
CID 86717424
2-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715479
2-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715748
2-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715764
4-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715767
3-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715768
2-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61454921
2-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61454963
2-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61455205
3-[(2-Ethylhexyl)sulfamoyl]propanoic acid
CID 23461310
2-(3-Propylnonylsulfamoyl)acetic acid
CID 174164647
2-[(4-Methylcyclohexyl)sulfamoyl]acetic acid
CID 28773577

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid (CID 43711208) is 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid is CCC1CCCCC1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid?
The InChIKey is SGGOULCBMLEQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-8-5-3-4-6-9(8)11-16(14,15)7-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid?
2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)sulfamoyl]acetic acid is sourced from PubChem (CID 43711208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).