methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate

C11H22N2O4S — CID 79111140

IUPACmethyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate
SMILESCNC1CCC(NS(=O)(=O)C(C)C(=O)OC)CC1
InChIInChI=1S/C11H22N2O4S/c1-8(11(14)17-3)18(15,16)13-10-6-4-9(12-2)5-7-10/h8-10,12-13H,4-7H2,1-3H3
InChIKeyFZTOGMBQEILSLT-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.00
Rot. Bonds5

About methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate

methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate (PubChem CID 79111140) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate
PubChem CID79111140
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate
SMILESCNC1CCC(NS(=O)(=O)C(C)C(=O)OC)CC1
InChIInChI=1S/C11H22N2O4S/c1-8(11(14)17-3)18(15,16)13-10-6-4-9(12-2)5-7-10/h8-10,12-13H,4-7H2,1-3H3
InChIKeyFZTOGMBQEILSLT-UHFFFAOYSA-N
XLogP-0.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclohexylsulfamoyl)propanoate
CID 63362940
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
CID 61459191
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816642
methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401
methyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]propanoate
CID 114695160
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
methyl 4-(difluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 112690078
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 106125364
1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
CID 114814968
methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate
CID 114232365

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate?
The IUPAC name of methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate (CID 79111140) is methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate is CNC1CCC(NS(=O)(=O)C(C)C(=O)OC)CC1.
What is the InChIKey of methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate?
The InChIKey is FZTOGMBQEILSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8(11(14)17-3)18(15,16)13-10-6-4-9(12-2)5-7-10/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate?
methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate has a molecular weight of 278.37 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(methylamino)cyclohexyl]sulfamoyl]propanoate is sourced from PubChem (CID 79111140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).