tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate

C15H23ClN2O2S — CID 106041710

IUPACtert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCCc2ccc(Cl)s2)C1
InChIInChI=1S/C15H23ClN2O2S/c1-15(2,3)20-14(19)18-11-8-10(9-11)17-7-6-12-4-5-13(16)21-12/h4-5,10-11,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyGXCQIVWNXCGVBK-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 106041710) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate
PubChem CID106041710
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Nametert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCCc2ccc(Cl)s2)C1
InChIInChI=1S/C15H23ClN2O2S/c1-15(2,3)20-14(19)18-11-8-10(9-11)17-7-6-12-4-5-13(16)21-12/h4-5,10-11,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyGXCQIVWNXCGVBK-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.59
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-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]carbamate
CID 107094658
tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 80562083
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
CID 107850172
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
tert-butyl N-[3-[2-(furan-2-yl)ethylamino]cyclohexyl]carbamate
CID 103720087
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
tert-butyl N-[[2-[(5-chlorothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695515

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate (CID 106041710) is tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCCc2ccc(Cl)s2)C1.
What is the InChIKey of tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is GXCQIVWNXCGVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-15(2,3)20-14(19)18-11-8-10(9-11)17-7-6-12-4-5-13(16)21-12/h4-5,10-11,17H,6-9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 330.88 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 106041710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).