(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol

C9H12BrNO2S — CID 130751579

IUPAC(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1cc(Br)cs1
InChIInChI=1S/C9H12BrNO2S/c10-6-1-7(14-5-6)2-11-8-3-13-4-9(8)12/h1,5,8-9,11-12H,2-4H2/t8-,9-/m1/s1
InChIKeyFPXGFRRVMFNWTN-RKDXNWHRSA-N
MW278.17 g/mol
LogP1.36
Rot. Bonds3

About (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol

(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol (PubChem CID 130751579) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
PubChem CID130751579
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Name(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1cc(Br)cs1
InChIInChI=1S/C9H12BrNO2S/c10-6-1-7(14-5-6)2-11-8-3-13-4-9(8)12/h1,5,8-9,11-12H,2-4H2/t8-,9-/m1/s1
InChIKeyFPXGFRRVMFNWTN-RKDXNWHRSA-N
XLogP1.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol with MolForge

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Related Compounds

2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696389
4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine
CID 66255257
N-[(4-bromothiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43123617
N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602675
(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol
CID 130703539
N-[(4-bromothiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104588894
N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43726768
3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270680

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol (CID 130751579) is (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol is O[C@@H]1COC[C@H]1NCc1cc(Br)cs1.
What is the InChIKey of (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol?
The InChIKey is FPXGFRRVMFNWTN-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c10-6-1-7(14-5-6)2-11-8-3-13-4-9(8)12/h1,5,8-9,11-12H,2-4H2/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol?
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol has a molecular weight of 278.17 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol is sourced from PubChem (CID 130751579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).