methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate

C11H22N2O4S — CID 54951767

IUPACmethyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-17-10(14)5-8-18(15,16)13-9-11(12)6-3-2-4-7-11/h13H,2-9,12H2,1H3
InChIKeyUWXULVPEQKWHRN-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.13
Rot. Bonds6

About methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate

methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate (PubChem CID 54951767) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate
PubChem CID54951767
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-17-10(14)5-8-18(15,16)13-9-11(12)6-3-2-4-7-11/h13H,2-9,12H2,1H3
InChIKeyUWXULVPEQKWHRN-UHFFFAOYSA-N
XLogP0.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate?
The IUPAC name of methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate (CID 54951767) is methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate is COC(=O)CCS(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate?
The InChIKey is UWXULVPEQKWHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-17-10(14)5-8-18(15,16)13-9-11(12)6-3-2-4-7-11/h13H,2-9,12H2,1H3.
What are the key properties of methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate?
methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate has a molecular weight of 278.37 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate is sourced from PubChem (CID 54951767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).