N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine

C13H17NS2 — CID 63773695

IUPACN-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1ccsc1
InChIInChI=1S/C13H17NS2/c1-2-14-13(11-7-9-15-10-11)6-5-12-4-3-8-16-12/h3-4,7-10,13-14H,2,5-6H2,1H3
InChIKeySEFQUNQFVDEKHR-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.09
Rot. Bonds6

About N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine

N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine (PubChem CID 63773695) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
PubChem CID63773695
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC NameN-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1ccsc1
InChIInChI=1S/C13H17NS2/c1-2-14-13(11-7-9-15-10-11)6-5-12-4-3-8-16-12/h3-4,7-10,13-14H,2,5-6H2,1H3
InChIKeySEFQUNQFVDEKHR-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860962
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine
CID 105153974
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine (CID 63773695) is N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine is CCNC(CCc1cccs1)c1ccsc1.
What is the InChIKey of N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is SEFQUNQFVDEKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-2-14-13(11-7-9-15-10-11)6-5-12-4-3-8-16-12/h3-4,7-10,13-14H,2,5-6H2,1H3.
What are the key properties of N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine?
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 63773695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).