1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate

C9H18N2O4S — CID 28788209

IUPAC1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate
SMILESCN(C)S(=O)(=O)[NH2+]C1(C(=O)[O-])CCCCC1
InChIInChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-9(8(12)13)6-4-3-5-7-9/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyBESVBNRDTZYQNB-UHFFFAOYSA-N
MW250.32 g/mol
LogP-2.19
Rot. Bonds4

About 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate

1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate (PubChem CID 28788209) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate
PubChem CID28788209
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate
SMILESCN(C)S(=O)(=O)[NH2+]C1(C(=O)[O-])CCCCC1
InChIInChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-9(8(12)13)6-4-3-5-7-9/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyBESVBNRDTZYQNB-UHFFFAOYSA-N
XLogP-2.19
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate 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 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate?
The IUPAC name of 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate (CID 28788209) is 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate?
The canonical SMILES for 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate is CN(C)S(=O)(=O)[NH2+]C1(C(=O)[O-])CCCCC1.
What is the InChIKey of 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate?
The InChIKey is BESVBNRDTZYQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-9(8(12)13)6-4-3-5-7-9/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate?
1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate has a molecular weight of 250.32 g/mol, XLogP of -2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylazaniumyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 28788209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).