methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate

C11H22N2O4S — CID 54951421

IUPACmethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-9(10(14)17-2)18(15,16)13-8-11(12)6-4-3-5-7-11/h9,13H,3-8,12H2,1-2H3
InChIKeyMWQBDPMEIGSTAN-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.13
Rot. Bonds5

About methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate

methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate (PubChem CID 54951421) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate
PubChem CID54951421
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-9(10(14)17-2)18(15,16)13-8-11(12)6-4-3-5-7-11/h9,13H,3-8,12H2,1-2H3
InChIKeyMWQBDPMEIGSTAN-UHFFFAOYSA-N
XLogP0.13
TPSA98.49 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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate?
The IUPAC name of methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate (CID 54951421) is methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate?
The InChIKey is MWQBDPMEIGSTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9(10(14)17-2)18(15,16)13-8-11(12)6-4-3-5-7-11/h9,13H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate?
methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate has a molecular weight of 278.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate is sourced from PubChem (CID 54951421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).