3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine

C10H19NO3S — CID 43679914

IUPAC3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
SMILESCC1(NCC2CCOC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-10(3-5-15(12,13)8-10)11-6-9-2-4-14-7-9/h9,11H,2-8H2,1H3
InChIKeyMCPGTUOKIHIOGR-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.19
Rot. Bonds3

About 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine

3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine (PubChem CID 43679914) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
PubChem CID43679914
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
SMILESCC1(NCC2CCOC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-10(3-5-15(12,13)8-10)11-6-9-2-4-14-7-9/h9,11H,2-8H2,1H3
InChIKeyMCPGTUOKIHIOGR-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine (CID 43679914) is 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine is CC1(NCC2CCOC2)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine?
The InChIKey is MCPGTUOKIHIOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(3-5-15(12,13)8-10)11-6-9-2-4-14-7-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine?
3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine has a molecular weight of 233.33 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 43679914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).