4-(cyclohexylmethylsulfamoyl)butanoic acid

C11H21NO4S — CID 43362044

IUPAC4-(cyclohexylmethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C11H21NO4S/c13-11(14)7-4-8-17(15,16)12-9-10-5-2-1-3-6-10/h10,12H,1-9H2,(H,13,14)
InChIKeyPNPZMFDXWHIWEJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds7

About 4-(cyclohexylmethylsulfamoyl)butanoic acid

4-(cyclohexylmethylsulfamoyl)butanoic acid (PubChem CID 43362044) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(cyclohexylmethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethylsulfamoyl)butanoic acid
PubChem CID43362044
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-(cyclohexylmethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C11H21NO4S/c13-11(14)7-4-8-17(15,16)12-9-10-5-2-1-3-6-10/h10,12H,1-9H2,(H,13,14)
InChIKeyPNPZMFDXWHIWEJ-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715481
3-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715482
4-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715749
3-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715750
4-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715767
3-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715768
4-[(2,2-Difluorocyclohexyl)methylsulfonylamino]butanoic acid
CID 121977335
2-[[(2,2-Difluorocyclohexyl)methylsulfonylamino]methyl]-4-methylpentanoic acid
CID 121978134
4-[[4-(Trifluoromethyl)cyclohexyl]sulfonylamino]butanoic acid
CID 122067603
2-(Cyclopropylmethyl)-3-[(4-fluorocyclohexyl)methylsulfonylamino]propanoic acid
CID 167967207
3-[(2-Ethylhexyl)sulfamoyl]propanoic acid
CID 23461310
4-(Cyclohexylsulfonylamino)butanoic acid
CID 61065822

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(cyclohexylmethylsulfamoyl)butanoic acid (CID 43362044) is 4-(cyclohexylmethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(cyclohexylmethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(cyclohexylmethylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethylsulfamoyl)butanoic acid?
The InChIKey is PNPZMFDXWHIWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c13-11(14)7-4-8-17(15,16)12-9-10-5-2-1-3-6-10/h10,12H,1-9H2,(H,13,14).
What are the key properties of 4-(cyclohexylmethylsulfamoyl)butanoic acid?
4-(cyclohexylmethylsulfamoyl)butanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylsulfamoyl)butanoic acid is sourced from PubChem (CID 43362044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).