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

C9H14BrNOS — CID 103778243

IUPAC(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
SMILESCc1cc(CN[C@@H](C)CO)sc1Br
InChIInChI=1S/C9H14BrNOS/c1-6-3-8(13-9(6)10)4-11-7(2)5-12/h3,7,11-12H,4-5H2,1-2H3/t7-/m0/s1
InChIKeySABHVYUPPJQJDY-ZETCQYMHSA-N
MW264.19 g/mol
LogP2.29
Rot. Bonds4

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

(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol (PubChem CID 103778243) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
PubChem CID103778243
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
SMILESCc1cc(CN[C@@H](C)CO)sc1Br
InChIInChI=1S/C9H14BrNOS/c1-6-3-8(13-9(6)10)4-11-7(2)5-12/h3,7,11-12H,4-5H2,1-2H3/t7-/m0/s1
InChIKeySABHVYUPPJQJDY-ZETCQYMHSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
CID 102831611
N-[(5-bromo-4-methylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115711129
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
CID 115710605
(2R)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 97230401
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2,2-difluoroethanamine
CID 115407076
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
2-bromo-N-[(5-bromo-4-methylthiophen-2-yl)methyl]prop-2-en-1-amine
CID 115710741

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol (CID 103778243) is (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol is Cc1cc(CN[C@@H](C)CO)sc1Br.
What is the InChIKey of (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol?
The InChIKey is SABHVYUPPJQJDY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-6-3-8(13-9(6)10)4-11-7(2)5-12/h3,7,11-12H,4-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol?
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol has a molecular weight of 264.19 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103778243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).