tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate

C14H27N3O5S — CID 95274465

IUPACtert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H27N3O5S/c1-14(2,3)22-13(18)17-6-4-5-12(17)11-15-23(19,20)16-7-9-21-10-8-16/h12,15H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyIUIPDIRXQRFSLB-GFCCVEGCSA-N
MW349.45 g/mol
LogP0.55
Rot. Bonds4

About tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate (PubChem CID 95274465) has the molecular formula C14H27N3O5S and a molecular weight of 349.45 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate
PubChem CID95274465
Molecular FormulaC14H27N3O5S
Molecular Weight349.45 g/mol
Exact Mass349.17
IUPAC Nametert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H27N3O5S/c1-14(2,3)22-13(18)17-6-4-5-12(17)11-15-23(19,20)16-7-9-21-10-8-16/h12,15H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyIUIPDIRXQRFSLB-GFCCVEGCSA-N
XLogP0.55
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylate
CID 134993115
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103827870
tert-butyl 2-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638099
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[[3-(methanesulfonamido)propylamino]methyl]pyrrolidine-1-carboxylate
CID 106333070
tert-butyl (2S)-2-[[(2-chloroacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 59215816
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66563910
tert-butyl 2-[(oxetan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103874776
tert-butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 13008759
tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 103896929

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate (CID 95274465) is tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1CNS(=O)(=O)N1CCOCC1.
What is the InChIKey of tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate?
The InChIKey is IUIPDIRXQRFSLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27N3O5S/c1-14(2,3)22-13(18)17-6-4-5-12(17)11-15-23(19,20)16-7-9-21-10-8-16/h12,15H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate has a molecular weight of 349.45 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(morpholin-4-ylsulfonylamino)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 95274465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).