(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol

C10H13BrClNOS2 — CID 99833176

IUPAC(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol
SMILESO[C@@]1(CNCc2cc(Br)c(Cl)s2)CCSC1
InChIInChI=1S/C10H13BrClNOS2/c11-8-3-7(16-9(8)12)4-13-5-10(14)1-2-15-6-10/h3,13-14H,1-2,4-6H2/t10-/m1/s1
InChIKeyZQUYENPNLGXSHE-SNVBAGLBSA-N
MW342.71 g/mol
LogP3.12
Rot. Bonds4

About (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol

(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol (PubChem CID 99833176) has the molecular formula C10H13BrClNOS2 and a molecular weight of 342.71 g/mol. Its IUPAC name is (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol
PubChem CID99833176
Molecular FormulaC10H13BrClNOS2
Molecular Weight342.71 g/mol
Exact Mass340.93
IUPAC Name(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol
SMILESO[C@@]1(CNCc2cc(Br)c(Cl)s2)CCSC1
InChIInChI=1S/C10H13BrClNOS2/c11-8-3-7(16-9(8)12)4-13-5-10(14)1-2-15-6-10/h3,13-14H,1-2,4-6H2/t10-/m1/s1
InChIKeyZQUYENPNLGXSHE-SNVBAGLBSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol with MolForge

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Related Compounds

3-[(4-Bromo-5-chlorothiophen-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 103527070
3-[(4-Bromo-5-chlorothiophen-2-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527455
N-[(4-bromothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 60744001
3-[[(4-Bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 62060350
3-[(4-Bromothiophen-2-yl)methylamino]-2-methylbutan-2-ol
CID 62816384
1-{[(4-Bromothiophen-2-yl)methyl]amino}-2-methylpropan-2-ol
CID 63239595
N-[(3-bromothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 63378758
1-[(4-Bromothiophen-2-yl)methylamino]-2-methylbutan-2-ol
CID 63679447
1-[(5-Chlorothiophen-2-yl)methylamino]-2-methylbutan-2-ol
CID 63932655
1-[[(4-Bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933914
1-[(3-Bromothiophen-2-yl)methylamino]-2-methylbutan-2-ol
CID 65111871
3-[[(3-Bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 65111901

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The IUPAC name of (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol (CID 99833176) is (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol.
What is the SMILES notation for (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The canonical SMILES for (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol is O[C@@]1(CNCc2cc(Br)c(Cl)s2)CCSC1.
What is the InChIKey of (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The InChIKey is ZQUYENPNLGXSHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13BrClNOS2/c11-8-3-7(16-9(8)12)4-13-5-10(14)1-2-15-6-10/h3,13-14H,1-2,4-6H2/t10-/m1/s1.
What are the key properties of (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol?
(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol has a molecular weight of 342.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol is sourced from PubChem (CID 99833176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).