3-(furan-2-ylmethylsulfanyl)oxan-4-amine

C10H15NO2S — CID 64610716

IUPAC3-(furan-2-ylmethylsulfanyl)oxan-4-amine
SMILESNC1CCOCC1SCc1ccco1
InChIInChI=1S/C10H15NO2S/c11-9-3-5-12-6-10(9)14-7-8-2-1-4-13-8/h1-2,4,9-10H,3,5-7,11H2
InChIKeyICLDLSYPPZRRES-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.63
Rot. Bonds3

About 3-(furan-2-ylmethylsulfanyl)oxan-4-amine

3-(furan-2-ylmethylsulfanyl)oxan-4-amine (PubChem CID 64610716) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfanyl)oxan-4-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfanyl)oxan-4-amine
PubChem CID64610716
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-(furan-2-ylmethylsulfanyl)oxan-4-amine
SMILESNC1CCOCC1SCc1ccco1
InChIInChI=1S/C10H15NO2S/c11-9-3-5-12-6-10(9)14-7-8-2-1-4-13-8/h1-2,4,9-10H,3,5-7,11H2
InChIKeyICLDLSYPPZRRES-UHFFFAOYSA-N
XLogP1.63
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64609908
N-[2-(furan-2-ylmethylsulfanyl)ethyl]oxan-4-amine
CID 63098847
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one
CID 71981321
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247700
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847075
4-ethyl-2-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxylic acid
CID 63098068
2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64609273
4-(furan-2-ylmethylsulfanyl)azepane
CID 126974894
2-(furan-2-yl)-1-(oxan-4-yl)ethanamine
CID 83175646

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfanyl)oxan-4-amine?
The IUPAC name of 3-(furan-2-ylmethylsulfanyl)oxan-4-amine (CID 64610716) is 3-(furan-2-ylmethylsulfanyl)oxan-4-amine.
What is the SMILES notation for 3-(furan-2-ylmethylsulfanyl)oxan-4-amine?
The canonical SMILES for 3-(furan-2-ylmethylsulfanyl)oxan-4-amine is NC1CCOCC1SCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylsulfanyl)oxan-4-amine?
The InChIKey is ICLDLSYPPZRRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c11-9-3-5-12-6-10(9)14-7-8-2-1-4-13-8/h1-2,4,9-10H,3,5-7,11H2.
What are the key properties of 3-(furan-2-ylmethylsulfanyl)oxan-4-amine?
3-(furan-2-ylmethylsulfanyl)oxan-4-amine has a molecular weight of 213.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfanyl)oxan-4-amine is sourced from PubChem (CID 64610716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).