2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine

C12H23NO2S — CID 23339573

IUPAC2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine
SMILESNCCC1(OC2CCCCO2)CCSCC1
InChIInChI=1S/C12H23NO2S/c13-7-4-12(5-9-16-10-6-12)15-11-3-1-2-8-14-11/h11H,1-10,13H2
InChIKeyMMNDAOMROLLLQR-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.14
Rot. Bonds4

About 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine

2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine (PubChem CID 23339573) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine
PubChem CID23339573
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine
SMILESNCCC1(OC2CCCCO2)CCSCC1
InChIInChI=1S/C12H23NO2S/c13-7-4-12(5-9-16-10-6-12)15-11-3-1-2-8-14-11/h11H,1-10,13H2
InChIKeyMMNDAOMROLLLQR-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine
CID 23339591
2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 23339569
2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
CID 146650975
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 70625745
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine
CID 115023208
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
2-(1-ethynylcyclohexyl)oxyoxane
CID 14148172
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
cyclohexyl-[1-(oxan-2-yloxy)cyclopropyl]methanol
CID 134894631

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine?
The IUPAC name of 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine (CID 23339573) is 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine.
What is the SMILES notation for 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine?
The canonical SMILES for 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine is NCCC1(OC2CCCCO2)CCSCC1.
What is the InChIKey of 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine?
The InChIKey is MMNDAOMROLLLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c13-7-4-12(5-9-16-10-6-12)15-11-3-1-2-8-14-11/h11H,1-10,13H2.
What are the key properties of 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine?
2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine has a molecular weight of 245.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine is sourced from PubChem (CID 23339573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).