(2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol

C8H11Br2NOS — CID 136585204

IUPAC(2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1sc(Br)cc1Br
InChIInChI=1S/C8H11Br2NOS/c1-5(12)3-11-4-7-6(9)2-8(10)13-7/h2,5,11-12H,3-4H2,1H3/t5-/m1/s1
InChIKeyWHFCNYGRUCSLOL-RXMQYKEDSA-N
MW329.06 g/mol
LogP2.74
Rot. Bonds4

About (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol

(2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol (PubChem CID 136585204) has the molecular formula C8H11Br2NOS and a molecular weight of 329.06 g/mol. Its IUPAC name is (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol
PubChem CID136585204
Molecular FormulaC8H11Br2NOS
Molecular Weight329.06 g/mol
Exact Mass326.89
IUPAC Name(2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1sc(Br)cc1Br
InChIInChI=1S/C8H11Br2NOS/c1-5(12)3-11-4-7-6(9)2-8(10)13-7/h2,5,11-12H,3-4H2,1H3/t5-/m1/s1
InChIKeyWHFCNYGRUCSLOL-RXMQYKEDSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.06
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
CID 103884123
1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
CID 43392242
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
CID 95932159
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
(2S)-1-[(5-iodo-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 125142780

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol (CID 136585204) is (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol is C[C@@H](O)CNCc1sc(Br)cc1Br.
What is the InChIKey of (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is WHFCNYGRUCSLOL-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11Br2NOS/c1-5(12)3-11-4-7-6(9)2-8(10)13-7/h2,5,11-12H,3-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol?
(2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 329.06 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,5-dibromothiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 136585204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).