tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate

C11H20N2O4S — CID 175741866

IUPACtert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C=CS(N)(=O)=O
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(14)13-7-4-5-9(13)6-8-18(12,15)16/h6,8-9H,4-5,7H2,1-3H3,(H2,12,15,16)/t9-/m1/s1
InChIKeyNIASXSNPLHNDKA-SECBINFHSA-N
MW276.36 g/mol
LogP1.19
Rot. Bonds2

About tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate (PubChem CID 175741866) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate
PubChem CID175741866
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Nametert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C=CS(N)(=O)=O
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(14)13-7-4-5-9(13)6-8-18(12,15)16/h6,8-9H,4-5,7H2,1-3H3,(H2,12,15,16)/t9-/m1/s1
InChIKeyNIASXSNPLHNDKA-SECBINFHSA-N
XLogP1.19
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-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 2-[(Z)-2-sulfamoylethenyl]pyrrolidine-1-carboxylate
CID 175162311
tert-butyl (2S)-2-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 11118647
tert-butyl 2-(3-methoxy-3-oxoprop-1-enyl)pyrrolidine-1-carboxylate
CID 56993490
tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate
CID 150319571
tert-butyl (2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]pyrrolidine-1-carboxylate
CID 10711993
2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid
CID 154997321
tert-butyl 2-[(E)-4-aminobut-1-enyl]pyrrolidine-1-carboxylate
CID 126844522
tert-butyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 52916325
tert-butyl (2S)-2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162399038
CID 171369565
CID 171369565
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320
tert-butyl (2S)-2-[(E,3S)-3-methoxycarbonyl-4-methylpent-1-enyl]pyrrolidine-1-carboxylate
CID 11722990

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate (CID 175741866) is tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1C=CS(N)(=O)=O.
What is the InChIKey of tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate?
The InChIKey is NIASXSNPLHNDKA-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(2,3)17-10(14)13-7-4-5-9(13)6-8-18(12,15)16/h6,8-9H,4-5,7H2,1-3H3,(H2,12,15,16)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175741866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).