4-(oxan-4-ylsulfanyl)butan-2-amine

C9H19NOS — CID 64625779

IUPAC4-(oxan-4-ylsulfanyl)butan-2-amine
SMILESCC(N)CCSC1CCOCC1
InChIInChI=1S/C9H19NOS/c1-8(10)4-7-12-9-2-5-11-6-3-9/h8-9H,2-7,10H2,1H3
InChIKeyLGZDMIGBGIVMJK-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.64
Rot. Bonds4

About 4-(oxan-4-ylsulfanyl)butan-2-amine

4-(oxan-4-ylsulfanyl)butan-2-amine (PubChem CID 64625779) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanyl)butan-2-amine
PubChem CID64625779
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-(oxan-4-ylsulfanyl)butan-2-amine
SMILESCC(N)CCSC1CCOCC1
InChIInChI=1S/C9H19NOS/c1-8(10)4-7-12-9-2-5-11-6-3-9/h8-9H,2-7,10H2,1H3
InChIKeyLGZDMIGBGIVMJK-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(oxan-4-ylsulfanyl)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 4-(oxan-4-ylsulfanyl)butan-2-amine?
The IUPAC name of 4-(oxan-4-ylsulfanyl)butan-2-amine (CID 64625779) is 4-(oxan-4-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 4-(oxan-4-ylsulfanyl)butan-2-amine?
The canonical SMILES for 4-(oxan-4-ylsulfanyl)butan-2-amine is CC(N)CCSC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylsulfanyl)butan-2-amine?
The InChIKey is LGZDMIGBGIVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(10)4-7-12-9-2-5-11-6-3-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-(oxan-4-ylsulfanyl)butan-2-amine?
4-(oxan-4-ylsulfanyl)butan-2-amine has a molecular weight of 189.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 64625779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).