tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate

C14H22N2O2S — CID 80562080

IUPACtert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2ccsc2)C1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-12-6-11(7-12)15-8-10-4-5-19-9-10/h4-5,9,11-12,15H,6-8H2,1-3H3,(H,16,17)
InChIKeyZMQOKORNZXEPHH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate

tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate (PubChem CID 80562080) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
PubChem CID80562080
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nametert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2ccsc2)C1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-12-6-11(7-12)15-8-10-4-5-19-9-10/h4-5,9,11-12,15H,6-8H2,1-3H3,(H,16,17)
InChIKeyZMQOKORNZXEPHH-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate
CID 71991539
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
CID 107239036
tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
CID 107238877
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate (CID 80562080) is tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCc2ccsc2)C1.
What is the InChIKey of tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate?
The InChIKey is ZMQOKORNZXEPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-12-6-11(7-12)15-8-10-4-5-19-9-10/h4-5,9,11-12,15H,6-8H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate has a molecular weight of 282.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 80562080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).