2-(oxan-4-ylmethylsulfanyl)ethanamine

C8H17NOS — CID 62385701

IUPAC2-(oxan-4-ylmethylsulfanyl)ethanamine
SMILESNCCSCC1CCOCC1
InChIInChI=1S/C8H17NOS/c9-3-6-11-7-8-1-4-10-5-2-8/h8H,1-7,9H2
InChIKeyVWJGDYXPIUFOQD-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.10
Rot. Bonds4

About 2-(oxan-4-ylmethylsulfanyl)ethanamine

2-(oxan-4-ylmethylsulfanyl)ethanamine (PubChem CID 62385701) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(oxan-4-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-ylmethylsulfanyl)ethanamine
PubChem CID62385701
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(oxan-4-ylmethylsulfanyl)ethanamine
SMILESNCCSCC1CCOCC1
InChIInChI=1S/C8H17NOS/c9-3-6-11-7-8-1-4-10-5-2-8/h8H,1-7,9H2
InChIKeyVWJGDYXPIUFOQD-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-4-ylmethylsulfanyl)ethanol
CID 62385533
3-(oxan-4-ylmethylsulfanyl)propane-1,2-diol
CID 79683221
3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
CID 46836222
4-(propan-2-ylsulfanylmethyl)oxane
CID 130725735
3-(ethylsulfanylmethyl)oxolane
CID 130928771
2-(oxolan-3-yl)ethanamine
CID 22355254
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
oxan-4-ylmethylhydrazine
CID 53415127
oxan-4-ylmethanol
CID 2773573
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
CID 62385284
2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755775
2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole
CID 75374525

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethylsulfanyl)ethanamine?
The IUPAC name of 2-(oxan-4-ylmethylsulfanyl)ethanamine (CID 62385701) is 2-(oxan-4-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(oxan-4-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 2-(oxan-4-ylmethylsulfanyl)ethanamine is NCCSCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethylsulfanyl)ethanamine?
The InChIKey is VWJGDYXPIUFOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c9-3-6-11-7-8-1-4-10-5-2-8/h8H,1-7,9H2.
What are the key properties of 2-(oxan-4-ylmethylsulfanyl)ethanamine?
2-(oxan-4-ylmethylsulfanyl)ethanamine has a molecular weight of 175.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 62385701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).