1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine

C12H20N2S2 — CID 106444474

IUPAC1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCN1CCSCC1C(N)CCc1ccsc1
InChIInChI=1S/C12H20N2S2/c1-14-5-7-16-9-12(14)11(13)3-2-10-4-6-15-8-10/h4,6,8,11-12H,2-3,5,7,9,13H2,1H3
InChIKeyPVKAVWKSLPSDDS-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.06
Rot. Bonds4

About 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine

1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 106444474) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID106444474
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCN1CCSCC1C(N)CCc1ccsc1
InChIInChI=1S/C12H20N2S2/c1-14-5-7-16-9-12(14)11(13)3-2-10-4-6-15-8-10/h4,6,8,11-12H,2-3,5,7,9,13H2,1H3
InChIKeyPVKAVWKSLPSDDS-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 103595167
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
2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 107309197
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
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanamine
CID 107360379
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine
CID 103595850
1-(4-propylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 65423572

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine (CID 106444474) is 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine is CN1CCSCC1C(N)CCc1ccsc1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is PVKAVWKSLPSDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-14-5-7-16-9-12(14)11(13)3-2-10-4-6-15-8-10/h4,6,8,11-12H,2-3,5,7,9,13H2,1H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine?
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 256.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 106444474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).