1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine

C6H7Cl2NS — CID 82647651

IUPAC1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNCc1csc(Cl)c1Cl
InChIInChI=1S/C6H7Cl2NS/c1-9-2-4-3-10-6(8)5(4)7/h3,9H,2H2,1H3
InChIKeyKDEINLHNHXFUKU-UHFFFAOYSA-N
MW196.10 g/mol
LogP2.77
Rot. Bonds2

About 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine

1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine (PubChem CID 82647651) has the molecular formula C6H7Cl2NS and a molecular weight of 196.10 g/mol. Its IUPAC name is 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine
PubChem CID82647651
Molecular FormulaC6H7Cl2NS
Molecular Weight196.10 g/mol
Exact Mass194.97
IUPAC Name1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine
SMILESCNCc1csc(Cl)c1Cl
InChIInChI=1S/C6H7Cl2NS/c1-9-2-4-3-10-6(8)5(4)7/h3,9H,2H2,1H3
InChIKeyKDEINLHNHXFUKU-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine (CID 82647651) is 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine is CNCc1csc(Cl)c1Cl.
What is the InChIKey of 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine?
The InChIKey is KDEINLHNHXFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2NS/c1-9-2-4-3-10-6(8)5(4)7/h3,9H,2H2,1H3.
What are the key properties of 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine?
1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine has a molecular weight of 196.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichlorothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 82647651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).