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

C15H26NO2S+ — CID 7083788

IUPAC2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
SMILESC[C@H]([NH2+]CC[C@@]1(O)CCOC(C)(C)C1)c1cccs1
InChIInChI=1S/C15H25NO2S/c1-12(13-5-4-10-19-13)16-8-6-15(17)7-9-18-14(2,3)11-15/h4-5,10,12,16-17H,6-9,11H2,1-3H3/p+1/t12-,15+/m0/s1
InChIKeyMZPCNGTVMWCXKX-SWLSCSKDSA-O
MW284.44 g/mol
LogP2.08
Rot. Bonds5

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

2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium (PubChem CID 7083788) has the molecular formula C15H26NO2S+ and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Name2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
PubChem CID7083788
Molecular FormulaC15H26NO2S+
Molecular Weight284.44 g/mol
Exact Mass284.17
IUPAC Name2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
SMILESC[C@H]([NH2+]CC[C@@]1(O)CCOC(C)(C)C1)c1cccs1
InChIInChI=1S/C15H25NO2S/c1-12(13-5-4-10-19-13)16-8-6-15(17)7-9-18-14(2,3)11-15/h4-5,10,12,16-17H,6-9,11H2,1-3H3/p+1/t12-,15+/m0/s1
InChIKeyMZPCNGTVMWCXKX-SWLSCSKDSA-O
XLogP2.08
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium
CID 7473648
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
2-(4-hydroxy-2,2-dimethyloxan-4-yl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium
CID 4979378
2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7464224
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
4-[2-[(4-methoxyphenyl)methylamino]ethyl]-2,2-dimethyloxan-4-ol
CID 3105290
2,2-dimethyl-4-(3-methylsulfonylpropyl)oxan-4-ol
CID 65149000
4-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 114012555

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium?
The IUPAC name of 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium (CID 7083788) is 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium.
What is the SMILES notation for 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium?
The canonical SMILES for 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium is C[C@H]([NH2+]CC[C@@]1(O)CCOC(C)(C)C1)c1cccs1.
What is the InChIKey of 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium?
The InChIKey is MZPCNGTVMWCXKX-SWLSCSKDSA-O. The full InChI is InChI=1S/C15H25NO2S/c1-12(13-5-4-10-19-13)16-8-6-15(17)7-9-18-14(2,3)11-15/h4-5,10,12,16-17H,6-9,11H2,1-3H3/p+1/t12-,15+/m0/s1.
What are the key properties of 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium?
2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium has a molecular weight of 284.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 7083788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).