N-(thiophen-3-ylmethyl)ethanamine

C7H11NS — CID 4723845

IUPACN-(thiophen-3-ylmethyl)ethanamine
SMILESCCNCc1ccsc1
InChIInChI=1S/C7H11NS/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyPPWFKRMBCRYCQN-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.86
Rot. Bonds3

About N-(thiophen-3-ylmethyl)ethanamine

N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 4723845) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)ethanamine
PubChem CID4723845
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN-(thiophen-3-ylmethyl)ethanamine
SMILESCCNCc1ccsc1
InChIInChI=1S/C7H11NS/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyPPWFKRMBCRYCQN-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of N-(thiophen-3-ylmethyl)ethanamine (CID 4723845) is N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for N-(thiophen-3-ylmethyl)ethanamine is CCNCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is PPWFKRMBCRYCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3.
What are the key properties of N-(thiophen-3-ylmethyl)ethanamine?
N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 141.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 4723845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).