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

C10H13Br2NO2S — CID 62798326

IUPAC1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)sc1Br)C1COCCO1
InChIInChI=1S/C10H13Br2NO2S/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
InChIKeyKYMQJWWWWXHTPX-UHFFFAOYSA-N
MW371.09 g/mol
LogP2.95
Rot. Bonds3

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

1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 62798326) has the molecular formula C10H13Br2NO2S and a molecular weight of 371.09 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID62798326
Molecular FormulaC10H13Br2NO2S
Molecular Weight371.09 g/mol
Exact Mass368.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)sc1Br)C1COCCO1
InChIInChI=1S/C10H13Br2NO2S/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
InChIKeyKYMQJWWWWXHTPX-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.09
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 62798326) is 1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNC(c1cc(Br)sc1Br)C1COCCO1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is KYMQJWWWWXHTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S/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-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 371.09 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62798326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).