2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid

C12H23NO4S — CID 63688223

IUPAC2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
SMILESCC(C)(C)S(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO4S/c1-12(2,3)18(16,17)13-10(11(14)15)9-7-5-4-6-8-9/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyDWOGSCHXNLFBFB-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.74
Rot. Bonds4

About 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid

2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid (PubChem CID 63688223) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
PubChem CID63688223
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
SMILESCC(C)(C)S(=O)(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO4S/c1-12(2,3)18(16,17)13-10(11(14)15)9-7-5-4-6-8-9/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyDWOGSCHXNLFBFB-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid?
The IUPAC name of 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid (CID 63688223) is 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid is CC(C)(C)S(=O)(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid?
The InChIKey is DWOGSCHXNLFBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-12(2,3)18(16,17)13-10(11(14)15)9-7-5-4-6-8-9/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid?
2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid has a molecular weight of 277.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid is sourced from PubChem (CID 63688223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).