1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine

C13H17NS2 — CID 115861110

IUPAC1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCc1ccc(C(N)CCc2cccs2)s1
InChIInChI=1S/C13H17NS2/c1-2-10-6-8-13(16-10)12(14)7-5-11-4-3-9-15-11/h3-4,6,8-9,12H,2,5,7,14H2,1H3
InChIKeySEHJZRRPBGLWTB-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.00
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine

1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861110) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115861110
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCc1ccc(C(N)CCc2cccs2)s1
InChIInChI=1S/C13H17NS2/c1-2-10-6-8-13(16-10)12(14)7-5-11-4-3-9-15-11/h3-4,6,8-9,12H,2,5,7,14H2,1H3
InChIKeySEHJZRRPBGLWTB-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861149
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029878
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876
1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115860911
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine (CID 115861110) is 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine is CCc1ccc(C(N)CCc2cccs2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is SEHJZRRPBGLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-2-10-6-8-13(16-10)12(14)7-5-11-4-3-9-15-11/h3-4,6,8-9,12H,2,5,7,14H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).