methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate

C13H26N2O4S — CID 60732398

IUPACmethyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H26N2O4S/c1-14(11-7-10-13(16)19-3)20(17,18)15(2)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3
InChIKeyRPKNQCWPGSWHSP-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.38
Rot. Bonds7

About methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate

methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate (PubChem CID 60732398) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
PubChem CID60732398
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Namemethyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H26N2O4S/c1-14(11-7-10-13(16)19-3)20(17,18)15(2)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3
InChIKeyRPKNQCWPGSWHSP-UHFFFAOYSA-N
XLogP1.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate (CID 60732398) is methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate is COC(=O)CCCN(C)S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate?
The InChIKey is RPKNQCWPGSWHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-14(11-7-10-13(16)19-3)20(17,18)15(2)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3.
What are the key properties of methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate?
methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate has a molecular weight of 306.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate is sourced from PubChem (CID 60732398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).