[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium

C14H24NO2S+ — CID 7473648

IUPAC[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium
SMILESC[C@@H]([NH2+]C[C@@]1(O)CCOC(C)(C)C1)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-11(12-5-4-8-18-12)15-10-14(16)6-7-17-13(2,3)9-14/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3/p+1/t11-,14-/m1/s1
InChIKeyKJRIMWMASAAALK-BXUZGUMPSA-O
MW270.42 g/mol
LogP1.69
Rot. Bonds4

About [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium

[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium (PubChem CID 7473648) has the molecular formula C14H24NO2S+ and a molecular weight of 270.42 g/mol. Its IUPAC name is [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Name[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium
PubChem CID7473648
Molecular FormulaC14H24NO2S+
Molecular Weight270.42 g/mol
Exact Mass270.15
IUPAC Name[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium
SMILESC[C@@H]([NH2+]C[C@@]1(O)CCOC(C)(C)C1)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-11(12-5-4-8-18-12)15-10-14(16)6-7-17-13(2,3)9-14/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3/p+1/t11-,14-/m1/s1
InChIKeyKJRIMWMASAAALK-BXUZGUMPSA-O
XLogP1.69
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium with MolForge

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Related Compounds

2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7083788
2,2-dimethyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149211
N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7714420
(1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
CID 7707544
(1R)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
CID 7707548
(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
4-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 114012555
4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 65478285
4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65116662
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
2-methyl-3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]oxolan-3-ol
CID 107270600

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium?
The IUPAC name of [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium (CID 7473648) is [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium.
What is the SMILES notation for [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium?
The canonical SMILES for [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium is C[C@@H]([NH2+]C[C@@]1(O)CCOC(C)(C)C1)c1cccs1.
What is the InChIKey of [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium?
The InChIKey is KJRIMWMASAAALK-BXUZGUMPSA-O. The full InChI is InChI=1S/C14H23NO2S/c1-11(12-5-4-8-18-12)15-10-14(16)6-7-17-13(2,3)9-14/h4-5,8,11,15-16H,6-7,9-10H2,1-3H3/p+1/t11-,14-/m1/s1.
What are the key properties of [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium?
[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium has a molecular weight of 270.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 7473648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).