1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

C11H17ClN2S2 — CID 106444894

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCNC(c1ccc(Cl)s1)C1CSCCN1C
InChIInChI=1S/C11H17ClN2S2/c1-13-11(9-3-4-10(12)16-9)8-7-15-6-5-14(8)2/h3-4,8,11,13H,5-7H2,1-2H3
InChIKeyYAOLGITVHIYBPT-UHFFFAOYSA-N
MW276.86 g/mol
LogP2.71
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444894) has the molecular formula C11H17ClN2S2 and a molecular weight of 276.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444894
Molecular FormulaC11H17ClN2S2
Molecular Weight276.86 g/mol
Exact Mass276.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCNC(c1ccc(Cl)s1)C1CSCCN1C
InChIInChI=1S/C11H17ClN2S2/c1-13-11(9-3-4-10(12)16-9)8-7-15-6-5-14(8)2/h3-4,8,11,13H,5-7H2,1-2H3
InChIKeyYAOLGITVHIYBPT-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444901
1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444731
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444784
N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444780
N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475536
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444824
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444833
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (CID 106444894) is 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is CNC(c1ccc(Cl)s1)C1CSCCN1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is YAOLGITVHIYBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S2/c1-13-11(9-3-4-10(12)16-9)8-7-15-6-5-14(8)2/h3-4,8,11,13H,5-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 276.86 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).