1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

C10H13Cl2NO2S — CID 62800274

IUPAC1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)C1COCCO1
InChIInChI=1S/C10H13Cl2NO2S/c1-13-9(7-5-14-2-3-15-7)6-4-8(11)16-10(6)12/h4,7,9,13H,2-3,5H2,1H3
InChIKeySILAWGGTCKKOLZ-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.73
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 62800274) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID62800274
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)sc1Cl)C1COCCO1
InChIInChI=1S/C10H13Cl2NO2S/c1-13-9(7-5-14-2-3-15-7)6-4-8(11)16-10(6)12/h4,7,9,13H,2-3,5H2,1H3
InChIKeySILAWGGTCKKOLZ-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62798147
1-(2,5-dimethylfuran-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62805801
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 62800106
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 107968191
1-(1,4-dioxan-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 55119570
3-[1,4-dioxan-2-yl(methylamino)methyl]pyridin-2-amine
CID 65352984
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105036000
2-(1-adamantyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 79988914
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 65352324
1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800261
3-cyclopropyl-1-(2,5-dichlorothiophen-3-yl)-N-methylpropan-1-amine
CID 107968452

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 62800274) is 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNC(c1cc(Cl)sc1Cl)C1COCCO1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is SILAWGGTCKKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-13-9(7-5-14-2-3-15-7)6-4-8(11)16-10(6)12/h4,7,9,13H,2-3,5H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 282.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62800274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).