1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine

C11H18N2S2 — CID 131608786

IUPAC1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine
SMILESCC(N)Cc1ccc(N2CCSCC2)s1
InChIInChI=1S/C11H18N2S2/c1-9(12)8-10-2-3-11(15-10)13-4-6-14-7-5-13/h2-3,9H,4-8,12H2,1H3
InChIKeyHQJKUJPSPHWCOA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.19
Rot. Bonds3

About 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine

1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine (PubChem CID 131608786) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine
PubChem CID131608786
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine
SMILESCC(N)Cc1ccc(N2CCSCC2)s1
InChIInChI=1S/C11H18N2S2/c1-9(12)8-10-2-3-11(15-10)13-4-6-14-7-5-13/h2-3,9H,4-8,12H2,1H3
InChIKeyHQJKUJPSPHWCOA-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-thiomorpholin-4-ylthiophen-2-yl)ethanamine
CID 170868974
1-(2-thiomorpholin-4-ylphenyl)propan-2-amine
CID 63787448
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
(2R)-1-(5-phenylthiophen-2-yl)propan-2-amine
CID 18656702
1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 62750156
1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propan-2-amine
CID 170890943
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 28787551
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine
CID 107079726
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-fluorophenyl]propan-2-amine
CID 107459857
1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115092014

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine (CID 131608786) is 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine is CC(N)Cc1ccc(N2CCSCC2)s1.
What is the InChIKey of 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine?
The InChIKey is HQJKUJPSPHWCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-9(12)8-10-2-3-11(15-10)13-4-6-14-7-5-13/h2-3,9H,4-8,12H2,1H3.
What are the key properties of 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine?
1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiomorpholin-4-ylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 131608786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).