1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid

C10H18N2O6S — CID 114462405

IUPAC1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C10H18N2O6S/c1-7-5-3-4-6-10(7,8(13)14)12-19(16,17)11-9(15)18-2/h7,12H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyYXDWOQWMHDGKQB-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.21
Rot. Bonds4

About 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid

1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 114462405) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid
PubChem CID114462405
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C10H18N2O6S/c1-7-5-3-4-6-10(7,8(13)14)12-19(16,17)11-9(15)18-2/h7,12H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyYXDWOQWMHDGKQB-UHFFFAOYSA-N
XLogP0.21
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(butylsulfonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292658
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid
CID 61292850
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
2-methyl-1-(2-methylsulfonylpropanoylamino)cyclohexane-1-carboxylic acid
CID 104517539
1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 115000314
1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294871

Frequently Asked Questions

What is the IUPAC name of 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid (CID 114462405) is 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid is COC(=O)NS(=O)(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is YXDWOQWMHDGKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-7-5-3-4-6-10(7,8(13)14)12-19(16,17)11-9(15)18-2/h7,12H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid?
1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114462405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).