tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate

C16H24N2O2S — CID 63303317

IUPACtert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCc2cc3c(s2)CCC3)C1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)20-15(19)18-9-12(10-18)17-8-13-7-11-5-4-6-14(11)21-13/h7,12,17H,4-6,8-10H2,1-3H3
InChIKeyZJHBRBLDSFPEFN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.95
Rot. Bonds3

About tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate

tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate (PubChem CID 63303317) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate
PubChem CID63303317
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Nametert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCc2cc3c(s2)CCC3)C1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)20-15(19)18-9-12(10-18)17-8-13-7-11-5-4-6-14(11)21-13/h7,12,17H,4-6,8-10H2,1-3H3
InChIKeyZJHBRBLDSFPEFN-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755679
tert-butyl 3-[(3,4-dihydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103953629
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
tert-butyl 3-[(5-iodofuran-2-yl)methylamino]azetidine-1-carboxylate
CID 107241835
tert-butyl 3-[(2,5-dimethoxyphenyl)methylamino]azetidine-1-carboxylate
CID 103740758
tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate
CID 103748609
tert-butyl (3S)-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 71630557
tert-butyl 3-[(2-chlorophenyl)methylamino]azetidine-1-carboxylate
CID 63302872
tert-butyl 3-[(2,4-difluorophenyl)methylamino]azetidine-1-carboxylate
CID 63303234
tert-butyl 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103748570
5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]methyl]thiophene-3-carboxylic acid
CID 107239346

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate (CID 63303317) is tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NCc2cc3c(s2)CCC3)C1.
What is the InChIKey of tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate?
The InChIKey is ZJHBRBLDSFPEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)20-15(19)18-9-12(10-18)17-8-13-7-11-5-4-6-14(11)21-13/h7,12,17H,4-6,8-10H2,1-3H3.
What are the key properties of tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate?
tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate has a molecular weight of 308.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate is sourced from PubChem (CID 63303317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).