N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine

C11H17ClN2S — CID 66184209

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine
SMILESCCN(C1CNC1)C(C)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2S/c1-3-14(9-6-13-7-9)8(2)10-4-5-11(12)15-10/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyIXMKRRVUFUQHAK-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.76
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine (PubChem CID 66184209) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine
PubChem CID66184209
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine
SMILESCCN(C1CNC1)C(C)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2S/c1-3-14(9-6-13-7-9)8(2)10-4-5-11(12)15-10/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyIXMKRRVUFUQHAK-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine (CID 66184209) is N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine is CCN(C1CNC1)C(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine?
The InChIKey is IXMKRRVUFUQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-3-14(9-6-13-7-9)8(2)10-4-5-11(12)15-10/h4-5,8-9,13H,3,6-7H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine has a molecular weight of 244.79 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66184209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).