1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine

C10H14BrNOS2 — CID 79963935

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
SMILESCNC(c1cscc1Br)C1CSCCO1
InChIInChI=1S/C10H14BrNOS2/c1-12-10(7-4-15-5-8(7)11)9-6-14-3-2-13-9/h4-5,9-10,12H,2-3,6H2,1H3
InChIKeyJJONXZWDAFNTOC-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine

1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine (PubChem CID 79963935) has the molecular formula C10H14BrNOS2 and a molecular weight of 308.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
PubChem CID79963935
Molecular FormulaC10H14BrNOS2
Molecular Weight308.27 g/mol
Exact Mass306.97
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
SMILESCNC(c1cscc1Br)C1CSCCO1
InChIInChI=1S/C10H14BrNOS2/c1-12-10(7-4-15-5-8(7)11)9-6-14-3-2-13-9/h4-5,9-10,12H,2-3,6H2,1H3
InChIKeyJJONXZWDAFNTOC-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromothiophen-3-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103149305
1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215809
1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215812
N-[1-(4-bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215814
1-(4-bromothiophen-3-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475529
1-(4-bromothiophen-3-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475795
N-[1-(4-bromothiophen-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 103475928
1-(4-bromothiophen-3-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113780919
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62213528
1-(2,5-dibromothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62798326
N-[(2,5-dibromothiophen-3-yl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62804885
N-[(2,5-dibromothiophen-3-yl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 62805436

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine (CID 79963935) is 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine is CNC(c1cscc1Br)C1CSCCO1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine?
The InChIKey is JJONXZWDAFNTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS2/c1-12-10(7-4-15-5-8(7)11)9-6-14-3-2-13-9/h4-5,9-10,12H,2-3,6H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine?
1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine has a molecular weight of 308.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine is sourced from PubChem (CID 79963935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).