N-methyl-1-thiophen-3-ylmethanamine

C6H9NS — CID 693140

IUPACN-methyl-1-thiophen-3-ylmethanamine
SMILESCNCc1ccsc1
InChIInChI=1S/C6H9NS/c1-7-4-6-2-3-8-5-6/h2-3,5,7H,4H2,1H3
InChIKeyYZPQZFRRRSIHLR-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.47
Rot. Bonds2

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

N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 693140) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-3-ylmethanamine
PubChem CID693140
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC NameN-methyl-1-thiophen-3-ylmethanamine
SMILESCNCc1ccsc1
InChIInChI=1S/C6H9NS/c1-7-4-6-2-3-8-5-6/h2-3,5,7H,4H2,1H3
InChIKeyYZPQZFRRRSIHLR-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.47
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?
The IUPAC name of N-methyl-1-thiophen-3-ylmethanamine (CID 693140) is N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-1-thiophen-3-ylmethanamine is CNCc1ccsc1.
What is the InChIKey of N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is YZPQZFRRRSIHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-7-4-6-2-3-8-5-6/h2-3,5,7H,4H2,1H3.
What are the key properties of N-methyl-1-thiophen-3-ylmethanamine?
N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 127.21 g/mol, XLogP of 1.47, 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 is sourced from PubChem (CID 693140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).