N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine

C12H15NOS — CID 115883665

IUPACN-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
SMILESc1csc(CCCNCc2ccoc2)c1
InChIInChI=1S/C12H15NOS/c1(3-12-4-2-8-15-12)6-13-9-11-5-7-14-10-11/h2,4-5,7-8,10,13H,1,3,6,9H2
InChIKeyZHOSUMXVYUQYGP-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.06
Rot. Bonds6

About N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine

N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115883665) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115883665
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC NameN-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
SMILESc1csc(CCCNCc2ccoc2)c1
InChIInChI=1S/C12H15NOS/c1(3-12-4-2-8-15-12)6-13-9-11-5-7-14-10-11/h2,4-5,7-8,10,13H,1,3,6,9H2
InChIKeyZHOSUMXVYUQYGP-UHFFFAOYSA-N
XLogP3.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
CID 105123144
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089294
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 114289826
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
CID 79038889
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine (CID 115883665) is N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine is c1csc(CCCNCc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ZHOSUMXVYUQYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1(3-12-4-2-8-15-12)6-13-9-11-5-7-14-10-11/h2,4-5,7-8,10,13H,1,3,6,9H2.
What are the key properties of N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine?
N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115883665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).