methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate

C10H20N2O4S — CID 80563588

IUPACmethyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC1CCNC1
InChIInChI=1S/C10H20N2O4S/c1-16-10(13)3-2-6-17(14,15)12-8-9-4-5-11-7-9/h9,11-12H,2-8H2,1H3
InChIKeyOVOVWTBNNRWZKH-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.53
Rot. Bonds7

About methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate

methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate (PubChem CID 80563588) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
PubChem CID80563588
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC1CCNC1
InChIInChI=1S/C10H20N2O4S/c1-16-10(13)3-2-6-17(14,15)12-8-9-4-5-11-7-9/h9,11-12H,2-8H2,1H3
InChIKeyOVOVWTBNNRWZKH-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
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
methyl 4-(piperidin-3-ylmethylsulfonyl)butanoate
CID 82182142
4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140
2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid
CID 80563346
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
2-methylsulfonyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 63245223
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
CID 116583438

Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate (CID 80563588) is methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NCC1CCNC1.
What is the InChIKey of methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate?
The InChIKey is OVOVWTBNNRWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-16-10(13)3-2-6-17(14,15)12-8-9-4-5-11-7-9/h9,11-12H,2-8H2,1H3.
What are the key properties of methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate?
methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate 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 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate is sourced from PubChem (CID 80563588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).