1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine

C12H19NS2 — CID 105134176

IUPAC1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1cccs1)CC1CCSCC1
InChIInChI=1S/C12H19NS2/c13-11(9-12-2-1-5-15-12)8-10-3-6-14-7-4-10/h1-2,5,10-11H,3-4,6-9,13H2
InChIKeyIPPSHJXFHRJQIZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.15
Rot. Bonds4

About 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine

1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 105134176) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
PubChem CID105134176
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1cccs1)CC1CCSCC1
InChIInChI=1S/C12H19NS2/c13-11(9-12-2-1-5-15-12)8-10-3-6-14-7-4-10/h1-2,5,10-11H,3-4,6-9,13H2
InChIKeyIPPSHJXFHRJQIZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
CID 114458094
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
2-(thian-4-yl)-1-thiophen-2-ylethanol
CID 105079885
1-pyridin-3-yl-3-(thian-4-yl)propan-2-amine
CID 105179945
1-(3-bromophenyl)-3-(thian-4-yl)propan-2-amine
CID 105089697
1-(3,4-difluorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105175997
N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 107295205
1-(2-methylcyclopropyl)-2-thiophen-2-ylethanamine
CID 61078130
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
1-(2,5-dichlorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105151400
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
CID 82395020

Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine (CID 105134176) is 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine is NC(Cc1cccs1)CC1CCSCC1.
What is the InChIKey of 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is IPPSHJXFHRJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c13-11(9-12-2-1-5-15-12)8-10-3-6-14-7-4-10/h1-2,5,10-11H,3-4,6-9,13H2.
What are the key properties of 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine?
1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 105134176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).