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

C12H19NOS — CID 115856877

IUPAC1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCC1CCC(C(N)CCc2ccsc2)O1
InChIInChI=1S/C12H19NOS/c1-9-2-5-12(14-9)11(13)4-3-10-6-7-15-8-10/h6-9,11-12H,2-5,13H2,1H3
InChIKeyIAVXDLGOGXOKQJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.58
Rot. Bonds4

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

1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 115856877) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID115856877
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCC1CCC(C(N)CCc2ccsc2)O1
InChIInChI=1S/C12H19NOS/c1-9-2-5-12(14-9)11(13)4-3-10-6-7-15-8-10/h6-9,11-12H,2-5,13H2,1H3
InChIKeyIAVXDLGOGXOKQJ-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115386725
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65351038
N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
CID 115845115
1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine
CID 115849389
1-(6-bicyclo[3.1.0]hexanyl)-3-thiophen-3-ylpropan-1-amine
CID 115856867
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine
CID 115864482
1-(4-propylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 65423572
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789
1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626558
1-(2,3-dihydro-1H-inden-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65409928
1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 65020401

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine (CID 115856877) is 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine is CC1CCC(C(N)CCc2ccsc2)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is IAVXDLGOGXOKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-2-5-12(14-9)11(13)4-3-10-6-7-15-8-10/h6-9,11-12H,2-5,13H2,1H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine?
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115856877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).