methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate

C11H21NO4S — CID 112690080

IUPACmethyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
SMILESCCCS(=O)(=O)NC1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H21NO4S/c1-3-8-17(14,15)12-10-6-4-9(5-7-10)11(13)16-2/h9-10,12H,3-8H2,1-2H3
InChIKeyIXKHTCGUEVUJSF-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.05
Rot. Bonds5

About methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate

methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate (PubChem CID 112690080) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
PubChem CID112690080
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate
SMILESCCCS(=O)(=O)NC1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H21NO4S/c1-3-8-17(14,15)12-10-6-4-9(5-7-10)11(13)16-2/h9-10,12H,3-8H2,1-2H3
InChIKeyIXKHTCGUEVUJSF-UHFFFAOYSA-N
XLogP1.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(propylsulfonylamino)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

Related Compounds

methyl 4-(2-propan-2-yloxyethylsulfonylamino)cyclohexane-1-carboxylate
CID 115674517
methyl 4-(methylsulfamoylamino)cyclohexane-1-carboxylate
CID 114811643
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
methyl 4-(difluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 112690078
methyl 4-(2-propylsulfonylethoxy)cyclohexane-1-carboxylate
CID 106721827
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
N-cyclopropylhexane-1-sulfonamide
CID 67119181
methyl 4-[[dihydroxy(oxo)-λ6-sulfanylidene]-hydroxymethyl]cyclohexane-1-carboxylate
CID 140602376
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 68898541
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583

Frequently Asked Questions

What is the IUPAC name of methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate (CID 112690080) is methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate is CCCS(=O)(=O)NC1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate?
The InChIKey is IXKHTCGUEVUJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-8-17(14,15)12-10-6-4-9(5-7-10)11(13)16-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate?
methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(propylsulfonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 112690080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).