1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane

C9H20N2O4S — CID 143148076

IUPAC1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane
SMILESCC.CN(C)S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C7H14N2O4S.C2H6/c1-8(2)14(12,13)9-4-3-6(5-9)7(10)11;1-2/h6H,3-5H2,1-2H3,(H,10,11);1-2H3
InChIKeySFVQKKHMYADBMG-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.23
Rot. Bonds3

About 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane

1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane (PubChem CID 143148076) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane
PubChem CID143148076
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane
SMILESCC.CN(C)S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C7H14N2O4S.C2H6/c1-8(2)14(12,13)9-4-3-6(5-9)7(10)11;1-2/h6H,3-5H2,1-2H3,(H,10,11);1-2H3
InChIKeySFVQKKHMYADBMG-UHFFFAOYSA-N
XLogP0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
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-(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-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane?
The IUPAC name of 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane (CID 143148076) is 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane.
What is the SMILES notation for 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane?
The canonical SMILES for 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane is CC.CN(C)S(=O)(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane?
The InChIKey is SFVQKKHMYADBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S.C2H6/c1-8(2)14(12,13)9-4-3-6(5-9)7(10)11;1-2/h6H,3-5H2,1-2H3,(H,10,11);1-2H3.
What are the key properties of 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane?
1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane has a molecular weight of 252.34 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane is sourced from PubChem (CID 143148076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).