4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid

C12H24N2O4S — CID 59334204

IUPAC4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-14(4-2)19(17,18)13-9-10-5-7-11(8-6-10)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyORUZIGUXCFIAPG-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.05
Rot. Bonds7

About 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid

4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 59334204) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID59334204
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-14(4-2)19(17,18)13-9-10-5-7-11(8-6-10)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyORUZIGUXCFIAPG-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(diethylsulfamoylamino)methyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 59334204) is 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid is CCN(CC)S(=O)(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ORUZIGUXCFIAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-14(4-2)19(17,18)13-9-10-5-7-11(8-6-10)12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 59334204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).