4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol

C11H9Br2NOS — CID 171200005

IUPAC4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
SMILESN[C@H](c1ccsc1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C11H9Br2NOS/c12-8-3-7(4-9(13)11(8)15)10(14)6-1-2-16-5-6/h1-5,10,15H,14H2/t10-/m1/s1
InChIKeyRWLMMQVEOAPIGU-SNVBAGLBSA-N
MW363.07 g/mol
LogP4.03
Rot. Bonds2

About 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol

4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol (PubChem CID 171200005) has the molecular formula C11H9Br2NOS and a molecular weight of 363.07 g/mol. Its IUPAC name is 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol.

Molecular Properties

Compound Name4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
PubChem CID171200005
Molecular FormulaC11H9Br2NOS
Molecular Weight363.07 g/mol
Exact Mass360.88
IUPAC Name4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
SMILESN[C@H](c1ccsc1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C11H9Br2NOS/c12-8-3-7(4-9(13)11(8)15)10(14)6-1-2-16-5-6/h1-5,10,15H,14H2/t10-/m1/s1
InChIKeyRWLMMQVEOAPIGU-SNVBAGLBSA-N
XLogP4.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.07
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
3-[(R)-amino(thiophen-3-yl)methyl]-2,4,6-tribromophenol
CID 171216422
4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
CID 171235478
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
2-[(S)-amino(thiophen-3-yl)methyl]benzene-1,3,5-triol;hydrochloride
CID 171217050
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol?
The IUPAC name of 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol (CID 171200005) is 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol.
What is the SMILES notation for 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol?
The canonical SMILES for 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol is N[C@H](c1ccsc1)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol?
The InChIKey is RWLMMQVEOAPIGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9Br2NOS/c12-8-3-7(4-9(13)11(8)15)10(14)6-1-2-16-5-6/h1-5,10,15H,14H2/t10-/m1/s1.
What are the key properties of 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol?
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol has a molecular weight of 363.07 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol is sourced from PubChem (CID 171200005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).