tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate

C15H24N2O2S — CID 63303145

IUPACtert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
SMILESCCC(NC1CN(C(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-5-12(13-7-6-8-20-13)16-11-9-17(10-11)14(18)19-15(2,3)4/h6-8,11-12,16H,5,9-10H2,1-4H3
InChIKeyOILOZUWYLXXWDL-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate

tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate (PubChem CID 63303145) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
PubChem CID63303145
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
SMILESCCC(NC1CN(C(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-5-12(13-7-6-8-20-13)16-11-9-17(10-11)14(18)19-15(2,3)4/h6-8,11-12,16H,5,9-10H2,1-4H3
InChIKeyOILOZUWYLXXWDL-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-thiophen-2-ylpropylamino)azepane-1-carboxylate
CID 107249327
tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
CID 63302805
tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
CID 63303236
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
CID 103730198
tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
CID 102672525
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 103801716
tert-butyl 2-[(1-thiophen-2-ylpropylamino)methyl]pyrrolidine-1-carboxylate
CID 103782677
tert-butyl 3-[[N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109465730
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate (CID 63303145) is tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate is CCC(NC1CN(C(=O)OC(C)(C)C)C1)c1cccs1.
What is the InChIKey of tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate?
The InChIKey is OILOZUWYLXXWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-12(13-7-6-8-20-13)16-11-9-17(10-11)14(18)19-15(2,3)4/h6-8,11-12,16H,5,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate?
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate is sourced from PubChem (CID 63303145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).