methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate

C11H22N2O4S — CID 63300934

IUPACmethyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate
SMILESCCCN(C1CCNC1)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C11H22N2O4S/c1-4-7-13(10-5-6-12-8-10)18(15,16)9(2)11(14)17-3/h9-10,12H,4-8H2,1-3H3
InChIKeyVONIEEYCEZTYDI-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds6

About methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate

methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate (PubChem CID 63300934) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate
PubChem CID63300934
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate
SMILESCCCN(C1CCNC1)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C11H22N2O4S/c1-4-7-13(10-5-6-12-8-10)18(15,16)9(2)11(14)17-3/h9-10,12H,4-8H2,1-3H3
InChIKeyVONIEEYCEZTYDI-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid
CID 66213666
3-[2-methoxyethylsulfamoyl(propyl)amino]pyrrolidine
CID 114814259
methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
CID 63299827
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798
propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate
CID 114464658
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide
CID 79673607
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976762

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate (CID 63300934) is methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate is CCCN(C1CCNC1)S(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate?
The InChIKey is VONIEEYCEZTYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-7-13(10-5-6-12-8-10)18(15,16)9(2)11(14)17-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate?
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate has a molecular weight of 278.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate is sourced from PubChem (CID 63300934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).