tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate

C13H19BrN2O2S — CID 107238273

IUPACtert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCc1ccc(Br)s1
InChIInChI=1S/C13H19BrN2O2S/c1-13(2,3)18-12(17)16-10-6-9(10)15-7-8-4-5-11(14)19-8/h4-5,9-10,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyGGYCENAOSUNYBN-UHFFFAOYSA-N
MW347.28 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate

tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate (PubChem CID 107238273) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate
PubChem CID107238273
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Nametert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCc1ccc(Br)s1
InChIInChI=1S/C13H19BrN2O2S/c1-13(2,3)18-12(17)16-10-6-9(10)15-7-8-4-5-11(14)19-8/h4-5,9-10,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyGGYCENAOSUNYBN-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(5-tert-butylthiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238324
tert-butyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]carbamate
CID 103720142
tert-butyl N-[7-[(5-bromothiophen-2-yl)methylamino]-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255611
tert-butyl N-[2-[(2-bromophenyl)methylamino]cyclopropyl]carbamate
CID 107237536
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl N-[2-[(2-bromo-4-methylphenyl)methylamino]cyclopropyl]carbamate
CID 107237817
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946
tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107237714
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238328
tert-butyl N-[2-(1H-pyrrol-3-ylmethylamino)cyclopropyl]carbamate
CID 107237802

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate (CID 107238273) is tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NCc1ccc(Br)s1.
What is the InChIKey of tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate?
The InChIKey is GGYCENAOSUNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-13(2,3)18-12(17)16-10-6-9(10)15-7-8-4-5-11(14)19-8/h4-5,9-10,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate has a molecular weight of 347.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107238273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).