tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate

C18H24N2O2S — CID 107238045

IUPACtert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)c1cc2ccccc2s1
InChIInChI=1S/C18H24N2O2S/c1-11(16-9-12-7-5-6-8-15(12)23-16)19-13-10-14(13)20-17(21)22-18(2,3)4/h5-9,11,13-14,19H,10H2,1-4H3,(H,20,21)
InChIKeyGOBMZJDVKOAOEE-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.22
Rot. Bonds4

About tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate

tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate (PubChem CID 107238045) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate
PubChem CID107238045
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Nametert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)c1cc2ccccc2s1
InChIInChI=1S/C18H24N2O2S/c1-11(16-9-12-7-5-6-8-15(12)23-16)19-13-10-14(13)20-17(21)22-18(2,3)4/h5-9,11,13-14,19H,10H2,1-4H3,(H,20,21)
InChIKeyGOBMZJDVKOAOEE-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
CID 107238238
tert-butyl N-[2-[1-(2,4-dihydroxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107237842
tert-butyl N-[3-(1-benzothiophen-2-yl)-2,3-dihydroxypropyl]carbamate
CID 170832259
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
CID 107238280
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107238193
1-benzothiophen-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91015241
N-[1-(1-benzothiophen-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114909997
tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237507
N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
CID 115718255
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[2-(1-pyrazin-2-ylethylamino)cyclopropyl]carbamate
CID 107237510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate (CID 107238045) is tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate is CC(NC1CC1NC(=O)OC(C)(C)C)c1cc2ccccc2s1.
What is the InChIKey of tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate?
The InChIKey is GOBMZJDVKOAOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-11(16-9-12-7-5-6-8-15(12)23-16)19-13-10-14(13)20-17(21)22-18(2,3)4/h5-9,11,13-14,19H,10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate has a molecular weight of 332.47 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-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107238045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).