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

C13H26N2O4S — CID 81005114

IUPACtert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4S/c1-6-14(7-2)20(17,18)15-10-8-9-11(15)12(16)19-13(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyAPVSFQUDEXVCAY-NSHDSACASA-N
MW306.43 g/mol
LogP1.38
Rot. Bonds5

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

tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate (PubChem CID 81005114) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
PubChem CID81005114
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nametert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O4S/c1-6-14(7-2)20(17,18)15-10-8-9-11(15)12(16)19-13(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyAPVSFQUDEXVCAY-NSHDSACASA-N
XLogP1.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-1-cyanopyrrolidine-2-carboxylate
CID 44398742
(R)-1-Cyano-pyrrolidine-2-carboxylic acid tert-butyl ester
CID 44391415
(S)-1-Cyano-pyrrolidine-2-carboxylic acid tert-butyl ester
CID 44391490
methyl (2S)-1-(chlorosulfonyl)pyrrolidine-2-carboxylate
CID 10036702
Ethyl 1-(chlorosulfonyl)pyrrolidine-2-carboxylate
CID 16228604
methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate
CID 54485910
methyl (2R)-1-(chlorosulfonyl)pyrrolidine-2-carboxylate
CID 98542712
Ethyl 1-sulfamoylpyrrolidine-2-carboxylate
CID 43362365
ethyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate
CID 51888910
ethyl (2R)-1-sulfamoylpyrrolidine-2-carboxylate
CID 51888911
tert-butyl (2S)-1-(chlorosulfonyl)pyrrolidine-2-carboxylate
CID 122163793
tert-butyl (2S)-1-methylpyrrolidine-2-carboxylate
CID 20676400

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate (CID 81005114) is tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate is CCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate?
The InChIKey is APVSFQUDEXVCAY-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-6-14(7-2)20(17,18)15-10-8-9-11(15)12(16)19-13(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 81005114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).