4-[(3R)-thiolan-3-yl]morpholin-4-ium

C8H16NOS+ — CID 6952466

IUPAC4-[(3R)-thiolan-3-yl]morpholin-4-ium
SMILESC1C[NH+]([C@@H]2CCSC2)CCO1
InChIInChI=1S/C8H15NOS/c1-6-11-7-8(1)9-2-4-10-5-3-9/h8H,1-7H2/p+1/t8-/m1/s1
InChIKeyJYXQEHQPZNBICQ-MRVPVSSYSA-O
MW174.29 g/mol
LogP-0.59
Rot. Bonds1

About 4-[(3R)-thiolan-3-yl]morpholin-4-ium

4-[(3R)-thiolan-3-yl]morpholin-4-ium (PubChem CID 6952466) has the molecular formula C8H16NOS+ and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-[(3R)-thiolan-3-yl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(3R)-thiolan-3-yl]morpholin-4-ium
PubChem CID6952466
Molecular FormulaC8H16NOS+
Molecular Weight174.29 g/mol
Exact Mass174.09
IUPAC Name4-[(3R)-thiolan-3-yl]morpholin-4-ium
SMILESC1C[NH+]([C@@H]2CCSC2)CCO1
InChIInChI=1S/C8H15NOS/c1-6-11-7-8(1)9-2-4-10-5-3-9/h8H,1-7H2/p+1/t8-/m1/s1
InChIKeyJYXQEHQPZNBICQ-MRVPVSSYSA-O
XLogP-0.59
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,3R)-3-methylcyclopentyl]morpholin-4-ium
CID 7448485
4-[(1R,3S)-3-methylcyclopentyl]morpholin-4-ium
CID 7448487
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
CID 18555426
4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]morpholin-4-ium
CID 6952467
oxan-4-yl(thiolan-3-yl)methanamine
CID 105147256
N-(oxan-4-ylmethyl)thiolan-3-amine
CID 63725208
1-(oxan-4-yl)piperidin-1-ium-4-carboxylate
CID 28694330
N-(thiolan-3-ylmethyl)morpholin-4-amine
CID 107132352
1,4-oxathiane
CID 157277006
4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
CID 5175463
ethane;4-propan-2-yloxane;4-propan-2-ylthiane
CID 170972006
thiolane-3-thiol
CID 22556280

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-thiolan-3-yl]morpholin-4-ium?
The IUPAC name of 4-[(3R)-thiolan-3-yl]morpholin-4-ium (CID 6952466) is 4-[(3R)-thiolan-3-yl]morpholin-4-ium.
What is the SMILES notation for 4-[(3R)-thiolan-3-yl]morpholin-4-ium?
The canonical SMILES for 4-[(3R)-thiolan-3-yl]morpholin-4-ium is C1C[NH+]([C@@H]2CCSC2)CCO1.
What is the InChIKey of 4-[(3R)-thiolan-3-yl]morpholin-4-ium?
The InChIKey is JYXQEHQPZNBICQ-MRVPVSSYSA-O. The full InChI is InChI=1S/C8H15NOS/c1-6-11-7-8(1)9-2-4-10-5-3-9/h8H,1-7H2/p+1/t8-/m1/s1.
What are the key properties of 4-[(3R)-thiolan-3-yl]morpholin-4-ium?
4-[(3R)-thiolan-3-yl]morpholin-4-ium has a molecular weight of 174.29 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-thiolan-3-yl]morpholin-4-ium is sourced from PubChem (CID 6952466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).