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

C11H22N2O4S — CID 134993115

IUPACtert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CNS(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-7-5-6-9(13)8-12-18(4,15)16/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyZZEBXDIWXIXNLS-SECBINFHSA-N
MW278.37 g/mol
LogP0.94
Rot. Bonds3

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

tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate (PubChem CID 134993115) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
PubChem CID134993115
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nametert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CNS(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-7-5-6-9(13)8-12-18(4,15)16/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyZZEBXDIWXIXNLS-SECBINFHSA-N
XLogP0.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[3-(methanesulfonamido)propylamino]methyl]pyrrolidine-1-carboxylate
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CID 65142558
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
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tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate
CID 95274465
tert-butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 13008759
tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66563910
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl 2-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638099
tert-butyl (2S)-2-[[(2-chloroacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 59215816
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl (2R)-2-[[(2-fluorophenyl)methylsulfonylamino]methyl]pyrrolidine-1-carboxylate
CID 97172828

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate (CID 134993115) is tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1CNS(C)(=O)=O.
What is the InChIKey of tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate?
The InChIKey is ZZEBXDIWXIXNLS-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-7-5-6-9(13)8-12-18(4,15)16/h9,12H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate has a molecular weight of 278.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 134993115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).