N-methyl-1-thiophen-3-ylmethanamine;hydrochloride

C6H10ClNS — CID 17368893

IUPACN-methyl-1-thiophen-3-ylmethanamine;hydrochloride
SMILESCNCc1ccsc1.Cl
InChIInChI=1S/C6H9NS.ClH/c1-7-4-6-2-3-8-5-6;/h2-3,5,7H,4H2,1H3;1H
InChIKeyIPUQNHJAEFPRMV-UHFFFAOYSA-N
MW163.67 g/mol
LogP1.89
Rot. Bonds2

About N-methyl-1-thiophen-3-ylmethanamine;hydrochloride

N-methyl-1-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 17368893) has the molecular formula C6H10ClNS and a molecular weight of 163.67 g/mol. Its IUPAC name is N-methyl-1-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-thiophen-3-ylmethanamine;hydrochloride
PubChem CID17368893
Molecular FormulaC6H10ClNS
Molecular Weight163.67 g/mol
Exact Mass163.02
IUPAC NameN-methyl-1-thiophen-3-ylmethanamine;hydrochloride
SMILESCNCc1ccsc1.Cl
InChIInChI=1S/C6H9NS.ClH/c1-7-4-6-2-3-8-5-6;/h2-3,5,7H,4H2,1H3;1H
InChIKeyIPUQNHJAEFPRMV-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.67
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of N-methyl-1-thiophen-3-ylmethanamine;hydrochloride (CID 17368893) is N-methyl-1-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-methyl-1-thiophen-3-ylmethanamine;hydrochloride is CNCc1ccsc1.Cl.
What is the InChIKey of N-methyl-1-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is IPUQNHJAEFPRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.ClH/c1-7-4-6-2-3-8-5-6;/h2-3,5,7H,4H2,1H3;1H.
What are the key properties of N-methyl-1-thiophen-3-ylmethanamine;hydrochloride?
N-methyl-1-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 163.67 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 17368893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).