1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine

C12H19NS2 — CID 80626558

IUPAC1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)C1CCCCS1
InChIInChI=1S/C12H19NS2/c13-11(12-3-1-2-7-15-12)5-4-10-6-8-14-9-10/h6,8-9,11-12H,1-5,7,13H2
InChIKeyAWBQUSYJTIAPDF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.29
Rot. Bonds4

About 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine

1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 80626558) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID80626558
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESNC(CCc1ccsc1)C1CCCCS1
InChIInChI=1S/C12H19NS2/c13-11(12-3-1-2-7-15-12)5-4-10-6-8-14-9-10/h6,8-9,11-12H,1-5,7,13H2
InChIKeyAWBQUSYJTIAPDF-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626936
1-(6-bicyclo[3.1.0]hexanyl)-3-thiophen-3-ylpropan-1-amine
CID 115856867
1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115386725
1-cyclopentyl-5-thiophen-3-ylpentan-3-amine
CID 115857138
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789
1-(2,3-dihydro-1H-inden-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65409928
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80626191
1-(4-propylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 65423572
1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 65020401
3-cyclopropyl-1-(thian-2-yl)propan-1-amine
CID 80626885
2-(4-chlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627768

Frequently Asked Questions

What is the IUPAC name of 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine (CID 80626558) is 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine is NC(CCc1ccsc1)C1CCCCS1.
What is the InChIKey of 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is AWBQUSYJTIAPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c13-11(12-3-1-2-7-15-12)5-4-10-6-8-14-9-10/h6,8-9,11-12H,1-5,7,13H2.
What are the key properties of 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine?
1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 80626558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).