2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid

C11H19NO6S — CID 64816642

IUPAC2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO6S/c1-7(11(15)18-2)19(16,17)12-9-6-4-3-5-8(9)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyWWKNHRXOHIJABE-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.11
Rot. Bonds5

About 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid

2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 64816642) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID64816642
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO6S/c1-7(11(15)18-2)19(16,17)12-9-6-4-3-5-8(9)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyWWKNHRXOHIJABE-UHFFFAOYSA-N
XLogP0.11
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate
CID 114695160
methyl 2-(cyclohexylsulfamoyl)propanoate
CID 63362940
2-(propan-2-ylsulfamoylamino)cycloheptane-1-carboxylic acid
CID 114806690
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate
CID 79111140
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
2-[(2-aminocyclopentyl)sulfamoyl]propanoic acid
CID 63252218
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
CID 61459191
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 64816642) is 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid is COC(=O)C(C)S(=O)(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WWKNHRXOHIJABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-7(11(15)18-2)19(16,17)12-9-6-4-3-5-8(9)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid?
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).