2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine

C11H17BrN2S2 — CID 115380460

IUPAC2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
SMILESCC1CSCCN1C(CN)c1sccc1Br
InChIInChI=1S/C11H17BrN2S2/c1-8-7-15-5-3-14(8)10(6-13)11-9(12)2-4-16-11/h2,4,8,10H,3,5-7,13H2,1H3
InChIKeySCIKIZHKDZIIPA-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.95
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine

2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine (PubChem CID 115380460) has the molecular formula C11H17BrN2S2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
PubChem CID115380460
Molecular FormulaC11H17BrN2S2
Molecular Weight321.31 g/mol
Exact Mass320.00
IUPAC Name2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
SMILESCC1CSCCN1C(CN)c1sccc1Br
InChIInChI=1S/C11H17BrN2S2/c1-8-7-15-5-3-14(8)10(6-13)11-9(12)2-4-16-11/h2,4,8,10H,3,5-7,13H2,1H3
InChIKeySCIKIZHKDZIIPA-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine (CID 115380460) is 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine is CC1CSCCN1C(CN)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine?
The InChIKey is SCIKIZHKDZIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S2/c1-8-7-15-5-3-14(8)10(6-13)11-9(12)2-4-16-11/h2,4,8,10H,3,5-7,13H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine?
2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine has a molecular weight of 321.31 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 2-(3-bromothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 115380460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).