methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate

C10H20N2O4S — CID 55247848

IUPACmethyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C10H20N2O4S/c1-16-10(13)4-7-17(14,15)12-6-3-9-2-5-11-8-9/h9,11-12H,2-8H2,1H3
InChIKeyGHBDBWSDFLPERR-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.53
Rot. Bonds7

About methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate

methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate (PubChem CID 55247848) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
PubChem CID55247848
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C10H20N2O4S/c1-16-10(13)4-7-17(14,15)12-6-3-9-2-5-11-8-9/h9,11-12H,2-8H2,1H3
InChIKeyGHBDBWSDFLPERR-UHFFFAOYSA-N
XLogP-0.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate
CID 63629231
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
CID 80563588
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
CID 55250997
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide
CID 79594316
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate (CID 55247848) is methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NCCC1CCNC1.
What is the InChIKey of methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate?
The InChIKey is GHBDBWSDFLPERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-16-10(13)4-7-17(14,15)12-6-3-9-2-5-11-8-9/h9,11-12H,2-8H2,1H3.
What are the key properties of methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate?
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate has a molecular weight of 264.35 g/mol, XLogP of -0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate is sourced from PubChem (CID 55247848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).