tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate

C12H23N3O5S — CID 167488859

IUPACtert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CN(S(N)(=O)=O)C2)C1
InChIInChI=1S/C12H23N3O5S/c1-12(2,3)20-11(16)14-5-4-9(6-14)19-10-7-15(8-10)21(13,17)18/h9-10H,4-8H2,1-3H3,(H2,13,17,18)
InChIKeyZRPNDZVLERCIKI-UHFFFAOYSA-N
MW321.40 g/mol
LogP-0.10
Rot. Bonds3

About tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate

tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate (PubChem CID 167488859) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate
PubChem CID167488859
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Nametert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CN(S(N)(=O)=O)C2)C1
InChIInChI=1S/C12H23N3O5S/c1-12(2,3)20-11(16)14-5-4-9(6-14)19-10-7-15(8-10)21(13,17)18/h9-10H,4-8H2,1-3H3,(H2,13,17,18)
InChIKeyZRPNDZVLERCIKI-UHFFFAOYSA-N
XLogP-0.10
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-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 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate
CID 167488557
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl 3-piperidin-3-yloxypyrrolidine-1-carboxylate
CID 126844367
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
CID 87851758
tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
CID 167488707
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355
tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate (CID 167488859) is tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2CN(S(N)(=O)=O)C2)C1.
What is the InChIKey of tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate?
The InChIKey is ZRPNDZVLERCIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-12(2,3)20-11(16)14-5-4-9(6-14)19-10-7-15(8-10)21(13,17)18/h9-10H,4-8H2,1-3H3,(H2,13,17,18).
What are the key properties of tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate?
tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate has a molecular weight of 321.40 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 167488859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).