2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine

C11H17ClN2S2 — CID 79426741

IUPAC2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
SMILESCC1CSCCN1C(CN)c1cc(Cl)cs1
InChIInChI=1S/C11H17ClN2S2/c1-8-6-15-3-2-14(8)10(5-13)11-4-9(12)7-16-11/h4,7-8,10H,2-3,5-6,13H2,1H3
InChIKeyQSKAKRVTCIUMTL-UHFFFAOYSA-N
MW276.86 g/mol
LogP2.84
Rot. Bonds3

About 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine

2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine (PubChem CID 79426741) has the molecular formula C11H17ClN2S2 and a molecular weight of 276.86 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
PubChem CID79426741
Molecular FormulaC11H17ClN2S2
Molecular Weight276.86 g/mol
Exact Mass276.05
IUPAC Name2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
SMILESCC1CSCCN1C(CN)c1cc(Cl)cs1
InChIInChI=1S/C11H17ClN2S2/c1-8-6-15-3-2-14(8)10(5-13)11-4-9(12)7-16-11/h4,7-8,10H,2-3,5-6,13H2,1H3
InChIKeyQSKAKRVTCIUMTL-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.86
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine (CID 79426741) is 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine is CC1CSCCN1C(CN)c1cc(Cl)cs1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine?
The InChIKey is QSKAKRVTCIUMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S2/c1-8-6-15-3-2-14(8)10(5-13)11-4-9(12)7-16-11/h4,7-8,10H,2-3,5-6,13H2,1H3.
What are the key properties of 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine?
2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine has a molecular weight of 276.86 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 79426741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).