1-(oxan-4-ylmethylsulfinyl)butan-2-amine

C10H21NO2S — CID 81189051

IUPAC1-(oxan-4-ylmethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)CC1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-2-10(11)8-14(12)7-9-3-5-13-6-4-9/h9-10H,2-8,11H2,1H3
InChIKeyLSKXHGMYJRHLII-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.90
Rot. Bonds5

About 1-(oxan-4-ylmethylsulfinyl)butan-2-amine

1-(oxan-4-ylmethylsulfinyl)butan-2-amine (PubChem CID 81189051) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(oxan-4-ylmethylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethylsulfinyl)butan-2-amine
PubChem CID81189051
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-(oxan-4-ylmethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)CC1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-2-10(11)8-14(12)7-9-3-5-13-6-4-9/h9-10H,2-8,11H2,1H3
InChIKeyLSKXHGMYJRHLII-UHFFFAOYSA-N
XLogP0.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethylsulfinyl)butan-2-amine?
The IUPAC name of 1-(oxan-4-ylmethylsulfinyl)butan-2-amine (CID 81189051) is 1-(oxan-4-ylmethylsulfinyl)butan-2-amine.
What is the SMILES notation for 1-(oxan-4-ylmethylsulfinyl)butan-2-amine?
The canonical SMILES for 1-(oxan-4-ylmethylsulfinyl)butan-2-amine is CCC(N)CS(=O)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethylsulfinyl)butan-2-amine?
The InChIKey is LSKXHGMYJRHLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-10(11)8-14(12)7-9-3-5-13-6-4-9/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-(oxan-4-ylmethylsulfinyl)butan-2-amine?
1-(oxan-4-ylmethylsulfinyl)butan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethylsulfinyl)butan-2-amine is sourced from PubChem (CID 81189051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).