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

C9H19NO2S — CID 64656469

IUPAC1-(oxan-4-ylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)C1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-2-8(10)7-13(11)9-3-5-12-6-4-9/h8-9H,2-7,10H2,1H3
InChIKeyNIWBOFGZQJRACR-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.65
Rot. Bonds4

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

1-(oxan-4-ylsulfinyl)butan-2-amine (PubChem CID 64656469) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfinyl)butan-2-amine
PubChem CID64656469
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(oxan-4-ylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)C1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-2-8(10)7-13(11)9-3-5-12-6-4-9/h8-9H,2-7,10H2,1H3
InChIKeyNIWBOFGZQJRACR-UHFFFAOYSA-N
XLogP0.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-ylsulfinyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfinyl)butan-2-amine?
The IUPAC name of 1-(oxan-4-ylsulfinyl)butan-2-amine (CID 64656469) is 1-(oxan-4-ylsulfinyl)butan-2-amine.
What is the SMILES notation for 1-(oxan-4-ylsulfinyl)butan-2-amine?
The canonical SMILES for 1-(oxan-4-ylsulfinyl)butan-2-amine is CCC(N)CS(=O)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylsulfinyl)butan-2-amine?
The InChIKey is NIWBOFGZQJRACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-8(10)7-13(11)9-3-5-12-6-4-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-(oxan-4-ylsulfinyl)butan-2-amine?
1-(oxan-4-ylsulfinyl)butan-2-amine has a molecular weight of 205.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfinyl)butan-2-amine is sourced from PubChem (CID 64656469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).