1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C18H21NS2 — CID 115860702

IUPAC1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1csc2ccccc12
InChIInChI=1S/C18H21NS2/c1-2-11-19-17(10-9-14-6-5-12-20-14)16-13-21-18-8-4-3-7-15(16)18/h3-8,12-13,17,19H,2,9-11H2,1H3
InChIKeySEBWDKNUWUFBAF-UHFFFAOYSA-N
MW315.51 g/mol
LogP5.64
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860702) has the molecular formula C18H21NS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860702
Molecular FormulaC18H21NS2
Molecular Weight315.51 g/mol
Exact Mass315.11
IUPAC Name1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1csc2ccccc12
InChIInChI=1S/C18H21NS2/c1-2-11-19-17(10-9-14-6-5-12-20-14)16-13-21-18-8-4-3-7-15(16)18/h3-8,12-13,17,19H,2,9-11H2,1H3
InChIKeySEBWDKNUWUFBAF-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105037075
N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497218
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
1-(4-chloro-2,5-difluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861199
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 115860702) is 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is SEBWDKNUWUFBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS2/c1-2-11-19-17(10-9-14-6-5-12-20-14)16-13-21-18-8-4-3-7-15(16)18/h3-8,12-13,17,19H,2,9-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 315.51 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).