tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate

C15H23BrN2O2S — CID 107354580

IUPACtert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)cs1
InChIInChI=1S/C15H23BrN2O2S/c1-9(13-5-10(16)8-21-13)17-11-6-12(7-11)18-14(19)20-15(2,3)4/h5,8-9,11-12,17H,6-7H2,1-4H3,(H,18,19)
InChIKeyXTLKRGUIICVZIC-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 107354580) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
PubChem CID107354580
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Nametert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)cs1
InChIInChI=1S/C15H23BrN2O2S/c1-9(13-5-10(16)8-21-13)17-11-6-12(7-11)18-14(19)20-15(2,3)4/h5,8-9,11-12,17H,6-7H2,1-4H3,(H,18,19)
InChIKeyXTLKRGUIICVZIC-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103791631
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
CID 107239119
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
CID 103720059
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
tert-butyl N-[3-(2,4,6-tribromoanilino)cyclobutyl]carbamate
CID 103759372
tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
CID 107238841
tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239026
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[4-[1-(3-bromothiophen-2-yl)ethylamino]cyclohexyl]carbamate
CID 103785654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate (CID 107354580) is tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate is CC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cc(Br)cs1.
What is the InChIKey of tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is XTLKRGUIICVZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-9(13-5-10(16)8-21-13)17-11-6-12(7-11)18-14(19)20-15(2,3)4/h5,8-9,11-12,17H,6-7H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 375.33 g/mol, XLogP of 4.22, 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-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107354580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).