tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate

C11H22N2O4S — CID 81005721

IUPACtert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)9-7-6-8-13(9)18(15,16)12(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyQCYGDSIFBQYWBS-VIFPVBQESA-N
MW278.37 g/mol
LogP0.60
Rot. Bonds3

About tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate

tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate (PubChem CID 81005721) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate
PubChem CID81005721
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nametert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)9-7-6-8-13(9)18(15,16)12(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyQCYGDSIFBQYWBS-VIFPVBQESA-N
XLogP0.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005114
tert-butyl (2S)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 81004587
tert-butyl (2S)-1-cyclopropylsulfonylpyrrolidine-2-carboxylate
CID 81004849
tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate
CID 81320304
tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate
CID 104929274
tert-butyl (2S)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxylate
CID 81004501
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
tert-butyl (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidine-2-carboxylate
CID 95789114
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 80710341
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate (CID 81005721) is tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate is CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate?
The InChIKey is QCYGDSIFBQYWBS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)9-7-6-8-13(9)18(15,16)12(4)5/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate has a molecular weight of 278.37 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 81005721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).