1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine

C11H21NO2S — CID 106496950

IUPAC1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
SMILESNC(CSCC1CCCO1)C1CCOC1
InChIInChI=1S/C11H21NO2S/c12-11(9-3-5-13-6-9)8-15-7-10-2-1-4-14-10/h9-11H,1-8,12H2
InChIKeyLCCNHULTBXDLGK-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.26
Rot. Bonds5

About 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine

1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine (PubChem CID 106496950) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
PubChem CID106496950
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
SMILESNC(CSCC1CCCO1)C1CCOC1
InChIInChI=1S/C11H21NO2S/c12-11(9-3-5-13-6-9)8-15-7-10-2-1-4-14-10/h9-11H,1-8,12H2
InChIKeyLCCNHULTBXDLGK-UHFFFAOYSA-N
XLogP1.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755775
2-amino-3-(oxolan-2-ylmethylsulfanyl)propanenitrile
CID 106495466
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
1,2-bis(oxolan-3-yl)ethanamine
CID 103986754
2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
CID 106497624
2-[(2-bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
2-(ethenylsulfanylmethyl)oxolane
CID 19076165

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine (CID 106496950) is 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine is NC(CSCC1CCCO1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is LCCNHULTBXDLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c12-11(9-3-5-13-6-9)8-15-7-10-2-1-4-14-10/h9-11H,1-8,12H2.
What are the key properties of 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine?
1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 231.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 106496950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).