N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine

C8H11ClN2S — CID 117040547

IUPACN-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine
SMILESCN(c1ccc(Cl)s1)C1CNC1
InChIInChI=1S/C8H11ClN2S/c1-11(6-4-10-5-6)8-3-2-7(9)12-8/h2-3,6,10H,4-5H2,1H3
InChIKeyGAIXVXSHLONPLA-UHFFFAOYSA-N
MW202.71 g/mol
LogP1.81
Rot. Bonds2

About N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine

N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine (PubChem CID 117040547) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine
PubChem CID117040547
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC NameN-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine
SMILESCN(c1ccc(Cl)s1)C1CNC1
InChIInChI=1S/C8H11ClN2S/c1-11(6-4-10-5-6)8-3-2-7(9)12-8/h2-3,6,10H,4-5H2,1H3
InChIKeyGAIXVXSHLONPLA-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
CID 115118693
N-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 105450394
N-(2-chlorophenyl)-N-methylazetidin-3-amine
CID 105450392
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine
CID 66184209
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 119978813
5-chloro-N-methyl-N-(2-piperazin-1-ylethyl)thiophen-2-amine
CID 115230327
5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238312
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine
CID 115229873
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine?
The IUPAC name of N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine (CID 117040547) is N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine is CN(c1ccc(Cl)s1)C1CNC1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine?
The InChIKey is GAIXVXSHLONPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-11(6-4-10-5-6)8-3-2-7(9)12-8/h2-3,6,10H,4-5H2,1H3.
What are the key properties of N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine?
N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine has a molecular weight of 202.71 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117040547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).