1-(4-chlorothiophen-3-yl)-N-methylmethanamine

C6H8ClNS — CID 131105927

IUPAC1-(4-chlorothiophen-3-yl)-N-methylmethanamine
SMILESCNCc1cscc1Cl
InChIInChI=1S/C6H8ClNS/c1-8-2-5-3-9-4-6(5)7/h3-4,8H,2H2,1H3
InChIKeyKLNUEYJQZKWHJL-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.12
Rot. Bonds2

About 1-(4-chlorothiophen-3-yl)-N-methylmethanamine

1-(4-chlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 131105927) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 1-(4-chlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-3-yl)-N-methylmethanamine
PubChem CID131105927
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name1-(4-chlorothiophen-3-yl)-N-methylmethanamine
SMILESCNCc1cscc1Cl
InChIInChI=1S/C6H8ClNS/c1-8-2-5-3-9-4-6(5)7/h3-4,8H,2H2,1H3
InChIKeyKLNUEYJQZKWHJL-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chlorothiophen-3-yl)-N-methylmethanamine (CID 131105927) is 1-(4-chlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorothiophen-3-yl)-N-methylmethanamine is CNCc1cscc1Cl.
What is the InChIKey of 1-(4-chlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is KLNUEYJQZKWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-8-2-5-3-9-4-6(5)7/h3-4,8H,2H2,1H3.
What are the key properties of 1-(4-chlorothiophen-3-yl)-N-methylmethanamine?
1-(4-chlorothiophen-3-yl)-N-methylmethanamine has a molecular weight of 161.66 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 131105927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).