[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol

C11H16BrNO2S — CID 111976688

IUPAC[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1csc(Br)c1)CC1(CO)COC1
InChIInChI=1S/C11H16BrNO2S/c1-13(3-9-2-10(12)16-4-9)5-11(6-14)7-15-8-11/h2,4,14H,3,5-8H2,1H3
InChIKeySABRMBAJYJHMRP-UHFFFAOYSA-N
MW306.22 g/mol
LogP1.95
Rot. Bonds5

About [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol

[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 111976688) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
PubChem CID111976688
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC Name[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCN(Cc1csc(Br)c1)CC1(CO)COC1
InChIInChI=1S/C11H16BrNO2S/c1-13(3-9-2-10(12)16-4-9)5-11(6-14)7-15-8-11/h2,4,14H,3,5-8H2,1H3
InChIKeySABRMBAJYJHMRP-UHFFFAOYSA-N
XLogP1.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 65002893
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
[3-[[benzyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 111976476
1-(5-bromothiophen-3-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62258974
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494298
[3-[[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 110019569
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
CID 115919436
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
4-[(5-bromothiophen-3-yl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66452184
[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
CID 106981793

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol (CID 111976688) is [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol is CN(Cc1csc(Br)c1)CC1(CO)COC1.
What is the InChIKey of [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is SABRMBAJYJHMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-13(3-9-2-10(12)16-4-9)5-11(6-14)7-15-8-11/h2,4,14H,3,5-8H2,1H3.
What are the key properties of [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol?
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 306.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).