1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid

C10H20N2O4S — CID 63721914

IUPAC1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-4-11(5-2)17(15,16)12-6-8(3)9(7-12)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyMXKXREHWUJIXIH-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.23
Rot. Bonds5

About 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721914) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721914
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-4-11(5-2)17(15,16)12-6-8(3)9(7-12)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyMXKXREHWUJIXIH-UHFFFAOYSA-N
XLogP0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 21076148
1-(Fluorosulfonyl)pyrrolidine-3-carboxylic acid
CID 165690980
1-(Diethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709072
1-[Butyl(methyl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709431
4-Methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 113636803
(3S,4S)-4-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114085518
(3S,4S)-1-(diethylsulfamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817121
(3S,4S)-1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817132
(3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817164
(3S,4S)-1-[butyl(methyl)sulfamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817170
(3S,4S)-1-[cyclopropylmethyl(methyl)sulfamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817240
(3S,4S)-1-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817275

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63721914) is 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid is CCN(CC)S(=O)(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MXKXREHWUJIXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-4-11(5-2)17(15,16)12-6-8(3)9(7-12)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).