N-(thiophen-3-ylmethyl)prop-2-en-1-amine

C8H11NS — CID 4723852

IUPACN-(thiophen-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1ccsc1
InChIInChI=1S/C8H11NS/c1-2-4-9-6-8-3-5-10-7-8/h2-3,5,7,9H,1,4,6H2
InChIKeyJWNAGJXSWZTSAV-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.02
Rot. Bonds4

About N-(thiophen-3-ylmethyl)prop-2-en-1-amine

N-(thiophen-3-ylmethyl)prop-2-en-1-amine (PubChem CID 4723852) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)prop-2-en-1-amine
PubChem CID4723852
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC NameN-(thiophen-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1ccsc1
InChIInChI=1S/C8H11NS/c1-2-4-9-6-8-3-5-10-7-8/h2-3,5,7,9H,1,4,6H2
InChIKeyJWNAGJXSWZTSAV-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)prop-2-en-1-amine (CID 4723852) is N-(thiophen-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)prop-2-en-1-amine is C=CCNCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is JWNAGJXSWZTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-4-9-6-8-3-5-10-7-8/h2-3,5,7,9H,1,4,6H2.
What are the key properties of N-(thiophen-3-ylmethyl)prop-2-en-1-amine?
N-(thiophen-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 153.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 4723852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).