3-(butylsulfonylamino)cyclohexane-1-carboxylic acid

C11H21NO4S — CID 63041869

IUPAC3-(butylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCCCCS(=O)(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO4S/c1-2-3-7-17(15,16)12-10-6-4-5-9(8-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyVKVVNOPRHVAOEU-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds6

About 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid

3-(butylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 63041869) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(butylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID63041869
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-(butylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESCCCCS(=O)(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO4S/c1-2-3-7-17(15,16)12-10-6-4-5-9(8-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyVKVVNOPRHVAOEU-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid (CID 63041869) is 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid is CCCCS(=O)(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VKVVNOPRHVAOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-3-7-17(15,16)12-10-6-4-5-9(8-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid?
3-(butylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63041869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).