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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Related Compounds

2-(4-chlorothiophen-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79427183
2-(4-chlorothiophen-2-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 79426852
2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
CID 115380460
2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
CID 79426847
2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43123628
2-(3-tert-butylpyrrolidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
CID 113417089
2-(4-chlorothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965116
2-(4-bromothiophen-2-yl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 114086348
2-(4-bromothiophen-2-yl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541933
2-(3-methylthiomorpholin-4-yl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104647
2-(3-methylthiomorpholin-4-yl)-2-(thiolan-3-yl)ethanamine
CID 107132759
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519

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).