2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine

C11H16BrNO2S — CID 102633844

IUPAC2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine
SMILESCC1CNCC(COCc2sccc2Br)O1
InChIInChI=1S/C11H16BrNO2S/c1-8-4-13-5-9(15-8)6-14-7-11-10(12)2-3-16-11/h2-3,8-9,13H,4-7H2,1H3
InChIKeyDBJKBDXKFKBXRI-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.40
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine

2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine (PubChem CID 102633844) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine
PubChem CID102633844
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine
SMILESCC1CNCC(COCc2sccc2Br)O1
InChIInChI=1S/C11H16BrNO2S/c1-8-4-13-5-9(15-8)6-14-7-11-10(12)2-3-16-11/h2-3,8-9,13H,4-7H2,1H3
InChIKeyDBJKBDXKFKBXRI-UHFFFAOYSA-N
XLogP2.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Bromothiophen-2-yl)morpholine
CID 60999597
3-[(4-Bromothiophen-2-yl)methoxy]azetidine
CID 63104785
2-(4-Bromothiophen-2-yl)morpholine
CID 82296169
Ethane;2-thiophen-2-ylmorpholine
CID 142801305
Propan-2-one;2-thiophen-2-ylmorpholine
CID 155296484
[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-(3-propan-2-yloxypropyl)azanium
CID 2119636
(2S)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119637
[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-(3-propan-2-yloxypropyl)azanium
CID 2119638
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
diethyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium
CID 2125918
(2S)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2126719
(2R)-1-(4-propylpiperazine-1,4-diium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2126721

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine (CID 102633844) is 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine is CC1CNCC(COCc2sccc2Br)O1.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine?
The InChIKey is DBJKBDXKFKBXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-8-4-13-5-9(15-8)6-14-7-11-10(12)2-3-16-11/h2-3,8-9,13H,4-7H2,1H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine?
2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine has a molecular weight of 306.23 g/mol, XLogP of 2.40, 4 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)methoxymethyl]-6-methylmorpholine is sourced from PubChem (CID 102633844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).