oxathian-3-ylmethanamine

C5H11NOS — CID 171823832

IUPACoxathian-3-ylmethanamine
SMILESNCC1CCCOS1
InChIInChI=1S/C5H11NOS/c6-4-5-2-1-3-7-8-5/h5H,1-4,6H2
InChIKeyXESUQHHRPAERTK-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.77
Rot. Bonds1

About oxathian-3-ylmethanamine

oxathian-3-ylmethanamine (PubChem CID 171823832) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is oxathian-3-ylmethanamine.

Molecular Properties

Compound Nameoxathian-3-ylmethanamine
PubChem CID171823832
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Nameoxathian-3-ylmethanamine
SMILESNCC1CCCOS1
InChIInChI=1S/C5H11NOS/c6-4-5-2-1-3-7-8-5/h5H,1-4,6H2
InChIKeyXESUQHHRPAERTK-UHFFFAOYSA-N
XLogP0.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyloxathiane
CID 67151933
[(2R)-oxolan-2-yl]methanamine
CID 2734124
thietan-2-ylmethanamine;hydrochloride
CID 75525729
2-methoxypropan-2-amine;oxolan-2-ylmethanamine
CID 143615334
3-(chloromethyl)dioxane
CID 18759262
[(2R,5R)-5-[(2R)-oxolan-2-yl]oxolan-2-yl]methanamine
CID 96839564
[2-(oxolan-2-yl)oxolan-3-yl]methanamine
CID 82837467
2-(thiolan-2-yl)ethanamine;hydrochloride
CID 53423396
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
3-(thiolan-2-yl)propan-1-amine
CID 83479274
1,3-oxathiolan-2-ylmethanamine
CID 14525905
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497

Frequently Asked Questions

What is the IUPAC name of oxathian-3-ylmethanamine?
The IUPAC name of oxathian-3-ylmethanamine (CID 171823832) is oxathian-3-ylmethanamine.
What is the SMILES notation for oxathian-3-ylmethanamine?
The canonical SMILES for oxathian-3-ylmethanamine is NCC1CCCOS1.
What is the InChIKey of oxathian-3-ylmethanamine?
The InChIKey is XESUQHHRPAERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c6-4-5-2-1-3-7-8-5/h5H,1-4,6H2.
What are the key properties of oxathian-3-ylmethanamine?
oxathian-3-ylmethanamine has a molecular weight of 133.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxathian-3-ylmethanamine is sourced from PubChem (CID 171823832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).