3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid

C11H21NO4S — CID 115427537

IUPAC3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-11(2,10(13)14)8-12-17(15,16)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyDCCYJXKTYHZPTO-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds5

About 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid

3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid (PubChem CID 115427537) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
PubChem CID115427537
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-11(2,10(13)14)8-12-17(15,16)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyDCCYJXKTYHZPTO-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 115427404
N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide
CID 115365303
2-(cycloheptylsulfonylamino)acetic acid
CID 22441691
N-[2,2-dimethyl-3-(methylamino)propyl]cyclopentanesulfonamide
CID 115271131
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
CID 106145688
N-(2-oxopropyl)cyclohexanesulfonamide
CID 64994168
3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
CID 114533437
N-(3-amino-2,2-difluoropropyl)cyclohexanesulfonamide
CID 114383985
N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
2-(cyclohexylsulfonylamino)acetamide
CID 64591564
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
(cyclohexylsulfonylamino) 2,2-dimethylbutanoate
CID 59502986

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid (CID 115427537) is 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid is CC(C)(CNS(=O)(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid?
The InChIKey is DCCYJXKTYHZPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2,10(13)14)8-12-17(15,16)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid?
3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).