tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate

C16H26N2O2S — CID 63302805

IUPACtert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
SMILESCC(C)C(NC1CN(C(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-11(2)14(13-7-6-8-21-13)17-12-9-18(10-12)15(19)20-16(3,4)5/h6-8,11-12,14,17H,9-10H2,1-5H3
InChIKeyWWKGPPWPMDGBFC-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate (PubChem CID 63302805) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
PubChem CID63302805
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Nametert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
SMILESCC(C)C(NC1CN(C(=O)OC(C)(C)C)C1)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-11(2)14(13-7-6-8-21-13)17-12-9-18(10-12)15(19)20-16(3,4)5/h6-8,11-12,14,17H,9-10H2,1-5H3
InChIKeyWWKGPPWPMDGBFC-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373
tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 103801716
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
tert-butyl 3-(1-thiophen-2-ylpropylamino)azepane-1-carboxylate
CID 107249327
tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
CID 81405804
tert-butyl 3-[[N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109465730
tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
CID 104933493
tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate
CID 97103228
tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
CID 63302812
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
CID 71629640

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate (CID 63302805) is tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate is CC(C)C(NC1CN(C(=O)OC(C)(C)C)C1)c1cccs1.
What is the InChIKey of tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate?
The InChIKey is WWKGPPWPMDGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(2)14(13-7-6-8-21-13)17-12-9-18(10-12)15(19)20-16(3,4)5/h6-8,11-12,14,17H,9-10H2,1-5H3.
What are the key properties of tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate has a molecular weight of 310.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 63302805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).