(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol

C8H12BrNOS — CID 93082561

IUPAC(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
SMILESC[C@@H](CO)NCc1ccc(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3/t6-/m0/s1
InChIKeyUWVYZSQQBYXBLO-LURJTMIESA-N
MW250.16 g/mol
LogP1.98
Rot. Bonds4

About (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol

(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol (PubChem CID 93082561) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
PubChem CID93082561
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
SMILESC[C@@H](CO)NCc1ccc(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3/t6-/m0/s1
InChIKeyUWVYZSQQBYXBLO-LURJTMIESA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol
CID 78943406
N-[(5-bromothiophen-2-yl)methyl]heptan-2-amine
CID 43399889
N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
2-N-[(5-bromothiophen-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109681
4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
CID 43746698
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]propan-1-ol
CID 102831611
(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 78921804
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)methylamino]propan-1-ol
CID 103778243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol (CID 93082561) is (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol is C[C@@H](CO)NCc1ccc(Br)s1.
What is the InChIKey of (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol?
The InChIKey is UWVYZSQQBYXBLO-LURJTMIESA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol?
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol has a molecular weight of 250.16 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 93082561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).