N-(1,1-dioxothian-4-yl)oxan-4-amine

C10H19NO3S — CID 43609976

IUPACN-(1,1-dioxothian-4-yl)oxan-4-amine
SMILESO=S1(=O)CCC(NC2CCOCC2)CC1
InChIInChI=1S/C10H19NO3S/c12-15(13)7-3-10(4-8-15)11-9-1-5-14-6-2-9/h9-11H,1-8H2
InChIKeyIHPZUIPQFKJLPE-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.33
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)oxan-4-amine

N-(1,1-dioxothian-4-yl)oxan-4-amine (PubChem CID 43609976) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)oxan-4-amine
PubChem CID43609976
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(1,1-dioxothian-4-yl)oxan-4-amine
SMILESO=S1(=O)CCC(NC2CCOCC2)CC1
InChIInChI=1S/C10H19NO3S/c12-15(13)7-3-10(4-8-15)11-9-1-5-14-6-2-9/h9-11H,1-8H2
InChIKeyIHPZUIPQFKJLPE-UHFFFAOYSA-N
XLogP0.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-4-yl)oxan-4-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 N-(1,1-dioxothian-4-yl)oxan-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)oxan-4-amine (CID 43609976) is N-(1,1-dioxothian-4-yl)oxan-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)oxan-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)oxan-4-amine is O=S1(=O)CCC(NC2CCOCC2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)oxan-4-amine?
The InChIKey is IHPZUIPQFKJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-15(13)7-3-10(4-8-15)11-9-1-5-14-6-2-9/h9-11H,1-8H2.
What are the key properties of N-(1,1-dioxothian-4-yl)oxan-4-amine?
N-(1,1-dioxothian-4-yl)oxan-4-amine has a molecular weight of 233.33 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)oxan-4-amine is sourced from PubChem (CID 43609976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).