1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid

C14H26N2O5S — CID 120539963

IUPAC1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O5S/c1-4-16(5-2)22(20,21)11-12(17)15(3)14(13(18)19)9-7-6-8-10-14/h4-11H2,1-3H3,(H,18,19)
InChIKeyDKPVMJLAGIIDRB-UHFFFAOYSA-N
MW334.44 g/mol
LogP0.90
Rot. Bonds7

About 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid

1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539963) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539963
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O5S/c1-4-16(5-2)22(20,21)11-12(17)15(3)14(13(18)19)9-7-6-8-10-14/h4-11H2,1-3H3,(H,18,19)
InChIKeyDKPVMJLAGIIDRB-UHFFFAOYSA-N
XLogP0.90
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539722
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-[methyl-(2-propylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539931
1-(diethylamino)cyclododecane-1-carboxylic acid
CID 43803612
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
1-[(2-tert-butylsulfanylacetyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539611
1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540216
1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 130573712
1-[methyl(propyl)amino]cyclooctane-1-carboxylic acid
CID 82238465
1-[[2-(4-hydroxyphenyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540141
1-[methyl(propan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 82236388
1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 120540070

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid (CID 120539963) is 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid is CCN(CC)S(=O)(=O)CC(=O)N(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DKPVMJLAGIIDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-4-16(5-2)22(20,21)11-12(17)15(3)14(13(18)19)9-7-6-8-10-14/h4-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 334.44 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylsulfamoyl)acetyl]-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).