4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol

C11H16BrNO2S — CID 78928753

IUPAC4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2cc(Br)cs2)CCOCC1
InChIInChI=1S/C11H16BrNO2S/c12-9-5-10(16-7-9)6-13-8-11(14)1-3-15-4-2-11/h5,7,13-14H,1-4,6,8H2
InChIKeyMZVDJFCSIVOLHH-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.14
Rot. Bonds4

About 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol

4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol (PubChem CID 78928753) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol
PubChem CID78928753
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2cc(Br)cs2)CCOCC1
InChIInChI=1S/C11H16BrNO2S/c12-9-5-10(16-7-9)6-13-8-11(14)1-3-15-4-2-11/h5,7,13-14H,1-4,6,8H2
InChIKeyMZVDJFCSIVOLHH-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680308
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928832
4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine
CID 63220178
4-[[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 78928486
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
4-[[(3-bromo-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929034
2-[5-[[(4-hydroxyoxan-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82886529
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
3-[(4-bromothiophen-2-yl)methyl]oxan-3-ol
CID 65149057

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol (CID 78928753) is 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol is OC1(CNCc2cc(Br)cs2)CCOCC1.
What is the InChIKey of 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is MZVDJFCSIVOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c12-9-5-10(16-7-9)6-13-8-11(14)1-3-15-4-2-11/h5,7,13-14H,1-4,6,8H2.
What are the key properties of 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol?
4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 306.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 78928753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).