methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate

C14H27NO4S — CID 61460515

IUPACmethyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
SMILESCCC1CCC(N(C)S(=O)(=O)CCCC(=O)OC)CC1
InChIInChI=1S/C14H27NO4S/c1-4-12-7-9-13(10-8-12)15(2)20(17,18)11-5-6-14(16)19-3/h12-13H,4-11H2,1-3H3
InChIKeySZHYWJBSTWMHJQ-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.17
Rot. Bonds7

About methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate

methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate (PubChem CID 61460515) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
PubChem CID61460515
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Namemethyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
SMILESCCC1CCC(N(C)S(=O)(=O)CCCC(=O)OC)CC1
InChIInChI=1S/C14H27NO4S/c1-4-12-7-9-13(10-8-12)15(2)20(17,18)11-5-6-14(16)19-3/h12-13H,4-11H2,1-3H3
InChIKeySZHYWJBSTWMHJQ-UHFFFAOYSA-N
XLogP2.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate 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-[azetidin-3-yl(methyl)sulfamoyl]butanoate
CID 66185019
2-(ethylamino)-N-(4-ethylcyclohexyl)-N-methylethanesulfonamide
CID 54972051
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate
CID 54952012
methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
CID 86972402
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195
methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate
CID 113330885
4-[methyl(piperidin-4-yl)sulfamoyl]butanoic acid
CID 61403398
methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
CID 60732398
1-cyclopropyl-N-methyl-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79122184
methyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylsulfamoyl]butanoate
CID 79314621
2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid
CID 62818553

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate (CID 61460515) is methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate is CCC1CCC(N(C)S(=O)(=O)CCCC(=O)OC)CC1.
What is the InChIKey of methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate?
The InChIKey is SZHYWJBSTWMHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-4-12-7-9-13(10-8-12)15(2)20(17,18)11-5-6-14(16)19-3/h12-13H,4-11H2,1-3H3.
What are the key properties of methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate?
methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate has a molecular weight of 305.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate is sourced from PubChem (CID 61460515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).