(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol

C9H14BrNO2S — CID 103884123

IUPAC(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
SMILESCOc1sc(CNC[C@H](C)O)cc1Br
InChIInChI=1S/C9H14BrNO2S/c1-6(12)4-11-5-7-3-8(10)9(13-2)14-7/h3,6,11-12H,4-5H2,1-2H3/t6-/m0/s1
InChIKeyFAIMJNQKACCXNC-LURJTMIESA-N
MW280.19 g/mol
LogP1.99
Rot. Bonds5

About (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol

(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol (PubChem CID 103884123) has the molecular formula C9H14BrNO2S and a molecular weight of 280.19 g/mol. Its IUPAC name is (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
PubChem CID103884123
Molecular FormulaC9H14BrNO2S
Molecular Weight280.19 g/mol
Exact Mass278.99
IUPAC Name(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
SMILESCOc1sc(CNC[C@H](C)O)cc1Br
InChIInChI=1S/C9H14BrNO2S/c1-6(12)4-11-5-7-3-8(10)9(13-2)14-7/h3,6,11-12H,4-5H2,1-2H3/t6-/m0/s1
InChIKeyFAIMJNQKACCXNC-LURJTMIESA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-bromo-5-methoxythiophen-2-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127736
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 115750363
3-[(4-bromo-5-methoxythiophen-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115750489
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866320
2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide
CID 115750331
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine
CID 115750295
1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
CID 43392242
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
(2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol
CID 136585204
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115750427
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol (CID 103884123) is (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol is COc1sc(CNC[C@H](C)O)cc1Br.
What is the InChIKey of (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is FAIMJNQKACCXNC-LURJTMIESA-N. The full InChI is InChI=1S/C9H14BrNO2S/c1-6(12)4-11-5-7-3-8(10)9(13-2)14-7/h3,6,11-12H,4-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol?
(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 280.19 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103884123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).