2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine

C11H18N2S2 — CID 115287874

IUPAC2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine
SMILESCC1CSCCN1CC(N)c1cccs1
InChIInChI=1S/C11H18N2S2/c1-9-8-14-6-4-13(9)7-10(12)11-3-2-5-15-11/h2-3,5,9-10H,4,6-8,12H2,1H3
InChIKeyUDHAUSXWACTWKK-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine

2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine (PubChem CID 115287874) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine
PubChem CID115287874
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine
SMILESCC1CSCCN1CC(N)c1cccs1
InChIInChI=1S/C11H18N2S2/c1-9-8-14-6-4-13(9)7-10(12)11-3-2-5-15-11/h2-3,5,9-10H,4,6-8,12H2,1H3
InChIKeyUDHAUSXWACTWKK-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-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 115287909
2-(2,5-dimethylmorpholin-4-yl)-1-thiophen-2-ylethanamine
CID 115287695
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-thiophen-2-ylethanamine
CID 115287790
1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
CID 113279390
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-thiophen-2-ylethanamine
CID 82751042
2-(azocan-1-yl)-1-thiophen-2-ylethanamine
CID 115287666
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 113279389
2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine
CID 115287646
2-(4-propylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287657
2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287841
2-[(2R)-2-hydroxy-3-(3-methylthiomorpholin-4-yl)propyl]isoindole-1,3-dione
CID 122154429
1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113279454

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine (CID 115287874) is 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine is CC1CSCCN1CC(N)c1cccs1.
What is the InChIKey of 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine?
The InChIKey is UDHAUSXWACTWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-9-8-14-6-4-13(9)7-10(12)11-3-2-5-15-11/h2-3,5,9-10H,4,6-8,12H2,1H3.
What are the key properties of 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine?
2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine 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 2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115287874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).