1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid

C9H18N2O4S — CID 63030448

IUPAC1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-3-10(4-2)16(14,15)11-6-5-8(7-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyVQTAPWNRVCCSAT-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.02
Rot. Bonds5

About 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid

1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63030448) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63030448
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-3-10(4-2)16(14,15)11-6-5-8(7-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyVQTAPWNRVCCSAT-UHFFFAOYSA-N
XLogP-0.02
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 21076148
1-(3-Methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 44890871
1-(Fluorosulfonyl)pyrrolidine-3-carboxylic acid
CID 165690980
1-(Dimethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226879
1-(Diethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709072
1-[Butyl(methyl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709431
1-[Methyl(propan-2-yl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710526
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-[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

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 63030448) is 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid is CCN(CC)S(=O)(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VQTAPWNRVCCSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-10(4-2)16(14,15)11-6-5-8(7-11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid?
1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 250.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).