4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid

C10H17NO4S — CID 166513762

IUPAC4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C10H17NO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h7-9,11H,1-6H2,(H,12,13)
InChIKeyILUPXRCPHTYSFI-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.71
Rot. Bonds4

About 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid

4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid (PubChem CID 166513762) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
PubChem CID166513762
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C10H17NO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h7-9,11H,1-6H2,(H,12,13)
InChIKeyILUPXRCPHTYSFI-UHFFFAOYSA-N
XLogP0.71
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid (CID 166513762) is 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is ILUPXRCPHTYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid?
4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166513762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).