[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium

C8H14NOS+ — CID 58297769

IUPAC[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium
SMILES[2H]C([2H])([2H])[NH2+]CC[C@H](O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/p+1/t7-/m0/s1/i1D3
InChIKeyYEJVVFOJMOHFRL-LNEZGBMJSA-O
MW175.29 g/mol
LogP0.36
Rot. Bonds5

About [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium

[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium (PubChem CID 58297769) has the molecular formula C8H14NOS+ and a molecular weight of 175.29 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium
PubChem CID58297769
Molecular FormulaC8H14NOS+
Molecular Weight175.29 g/mol
Exact Mass175.10
IUPAC Name[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium
SMILES[2H]C([2H])([2H])[NH2+]CC[C@H](O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/p+1/t7-/m0/s1/i1D3
InChIKeyYEJVVFOJMOHFRL-LNEZGBMJSA-O
XLogP0.36
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 116504809
2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N-methylbutanamide
CID 23069586
(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
CID 94830635
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-N-methylnitrous amide
CID 169444537
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 82123450
1-(thionin-2-yl)nonane-1,4-diol
CID 175393813
(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 94830631

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium?
The IUPAC name of [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium (CID 58297769) is [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium.
What is the SMILES notation for [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium?
The canonical SMILES for [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium is [2H]C([2H])([2H])[NH2+]CC[C@H](O)c1cccs1.
What is the InChIKey of [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium?
The InChIKey is YEJVVFOJMOHFRL-LNEZGBMJSA-O. The full InChI is InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/p+1/t7-/m0/s1/i1D3.
What are the key properties of [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium?
[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium has a molecular weight of 175.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium is sourced from PubChem (CID 58297769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).