1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine

C10H19NO3S — CID 43511560

IUPAC1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
SMILESO=S1(=O)CCC(NCC2CCCO2)CC1
InChIInChI=1S/C10H19NO3S/c12-15(13)6-3-9(4-7-15)11-8-10-2-1-5-14-10/h9-11H,1-8H2
InChIKeyAZWBCTPWJPLVAL-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.33
Rot. Bonds3

About 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine

1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine (PubChem CID 43511560) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
PubChem CID43511560
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
SMILESO=S1(=O)CCC(NCC2CCCO2)CC1
InChIInChI=1S/C10H19NO3S/c12-15(13)6-3-9(4-7-15)11-8-10-2-1-5-14-10/h9-11H,1-8H2
InChIKeyAZWBCTPWJPLVAL-UHFFFAOYSA-N
XLogP0.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine?
The IUPAC name of 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine (CID 43511560) is 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine is O=S1(=O)CCC(NCC2CCCO2)CC1.
What is the InChIKey of 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine?
The InChIKey is AZWBCTPWJPLVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-15(13)6-3-9(4-7-15)11-8-10-2-1-5-14-10/h9-11H,1-8H2.
What are the key properties of 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine?
1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine has a molecular weight of 233.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine is sourced from PubChem (CID 43511560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).