3-(oxan-4-ylsulfinyl)pentan-1-amine

C10H21NO2S — CID 81333768

IUPAC3-(oxan-4-ylsulfinyl)pentan-1-amine
SMILESCCC(CCN)S(=O)C1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-2-9(3-6-11)14(12)10-4-7-13-8-5-10/h9-10H,2-8,11H2,1H3
InChIKeyDDIAKZXANNUFEE-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.04
Rot. Bonds5

About 3-(oxan-4-ylsulfinyl)pentan-1-amine

3-(oxan-4-ylsulfinyl)pentan-1-amine (PubChem CID 81333768) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(oxan-4-ylsulfinyl)pentan-1-amine.

Molecular Properties

Compound Name3-(oxan-4-ylsulfinyl)pentan-1-amine
PubChem CID81333768
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-(oxan-4-ylsulfinyl)pentan-1-amine
SMILESCCC(CCN)S(=O)C1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-2-9(3-6-11)14(12)10-4-7-13-8-5-10/h9-10H,2-8,11H2,1H3
InChIKeyDDIAKZXANNUFEE-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylsulfinyl)pentan-1-amine?
The IUPAC name of 3-(oxan-4-ylsulfinyl)pentan-1-amine (CID 81333768) is 3-(oxan-4-ylsulfinyl)pentan-1-amine.
What is the SMILES notation for 3-(oxan-4-ylsulfinyl)pentan-1-amine?
The canonical SMILES for 3-(oxan-4-ylsulfinyl)pentan-1-amine is CCC(CCN)S(=O)C1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylsulfinyl)pentan-1-amine?
The InChIKey is DDIAKZXANNUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-9(3-6-11)14(12)10-4-7-13-8-5-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 3-(oxan-4-ylsulfinyl)pentan-1-amine?
3-(oxan-4-ylsulfinyl)pentan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylsulfinyl)pentan-1-amine is sourced from PubChem (CID 81333768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).