ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate

C13H24N2O4S — CID 106608776

IUPACethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C13H24N2O4S/c1-2-19-13(16)10-20(17,18)15(8-11-5-6-11)9-12-4-3-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyPHIXKSDCNPLYPB-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.34
Rot. Bonds8

About ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate

ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate (PubChem CID 106608776) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
PubChem CID106608776
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Nameethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C13H24N2O4S/c1-2-19-13(16)10-20(17,18)15(8-11-5-6-11)9-12-4-3-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyPHIXKSDCNPLYPB-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106609757
2-[[cyclopropylmethyl(propylsulfamoyl)amino]methyl]pyrrolidine
CID 106608854
ethyl N-[ethyl(piperidin-2-ylmethyl)sulfamoyl]carbamate
CID 106630320
ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106617961
ethyl N-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106609811
ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447
ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
CID 106614541
N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608896
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711
5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106608726
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate (CID 106608776) is ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)N(CC1CC1)CC1CCCN1.
What is the InChIKey of ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate?
The InChIKey is PHIXKSDCNPLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-19-13(16)10-20(17,18)15(8-11-5-6-11)9-12-4-3-7-14-12/h11-12,14H,2-10H2,1H3.
What are the key properties of ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate?
ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate has a molecular weight of 304.41 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate is sourced from PubChem (CID 106608776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).