N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine

C11H16ClNS — CID 102976313

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
SMILESCC(NC(C)C1CC1)c1csc(Cl)c1
InChIInChI=1S/C11H16ClNS/c1-7(9-3-4-9)13-8(2)10-5-11(12)14-6-10/h5-9,13H,3-4H2,1-2H3
InChIKeyXRLFZFONYINFTR-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.85
Rot. Bonds4

About N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine

N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine (PubChem CID 102976313) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
PubChem CID102976313
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
SMILESCC(NC(C)C1CC1)c1csc(Cl)c1
InChIInChI=1S/C11H16ClNS/c1-7(9-3-4-9)13-8(2)10-5-11(12)14-6-10/h5-9,13H,3-4H2,1-2H3
InChIKeyXRLFZFONYINFTR-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 102976436
N-[1-(5-chlorothiophen-3-yl)ethyl]cyclopent-3-en-1-amine
CID 102976675
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
CID 102976626
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 102976529
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 102976624
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine
CID 115733485
1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102976720
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine (CID 102976313) is N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine is CC(NC(C)C1CC1)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine?
The InChIKey is XRLFZFONYINFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-7(9-3-4-9)13-8(2)10-5-11(12)14-6-10/h5-9,13H,3-4H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 102976313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).