1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine

C7H16N2O2S — CID 82402460

IUPAC1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine
SMILESCC(C)C1C(N)C(N)CS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-4(2)7-6(9)5(8)3-12(7,10)11/h4-7H,3,8-9H2,1-2H3
InChIKeyZZHPIJNXXMYCIS-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.91
Rot. Bonds1

About 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine

1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine (PubChem CID 82402460) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine.

Molecular Properties

Compound Name1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine
PubChem CID82402460
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine
SMILESCC(C)C1C(N)C(N)CS1(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-4(2)7-6(9)5(8)3-12(7,10)11/h4-7H,3,8-9H2,1-2H3
InChIKeyZZHPIJNXXMYCIS-UHFFFAOYSA-N
XLogP-0.91
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine?
The IUPAC name of 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine (CID 82402460) is 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine.
What is the SMILES notation for 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine?
The canonical SMILES for 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine is CC(C)C1C(N)C(N)CS1(=O)=O.
What is the InChIKey of 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine?
The InChIKey is ZZHPIJNXXMYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-4(2)7-6(9)5(8)3-12(7,10)11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine?
1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine has a molecular weight of 192.28 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-propan-2-ylthiolane-3,4-diamine is sourced from PubChem (CID 82402460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).