(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid

C10H20N2O4S — CID 78923008

IUPAC(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-3-4-7-11(2)17(15,16)12-8-5-6-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyWRQNTRSELKKEHG-SECBINFHSA-N
MW264.35 g/mol
LogP0.51
Rot. Bonds6

About (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78923008) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78923008
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-3-4-7-11(2)17(15,16)12-8-5-6-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyWRQNTRSELKKEHG-SECBINFHSA-N
XLogP0.51
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide
CID 54986272
(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069755
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 146134184
ethyl 1-[butyl(2-hydroxyethyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 61448316
(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069672
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid (CID 78923008) is (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid is CCCCN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WRQNTRSELKKEHG-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-4-7-11(2)17(15,16)12-8-5-6-9(12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).