3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine

C8H18N2O2S — CID 3094473

IUPAC3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine
SMILESCN(C)C1CS(=O)(=O)CC1N(C)C
InChIInChI=1S/C8H18N2O2S/c1-9(2)7-5-13(11,12)6-8(7)10(3)4/h7-8H,5-6H2,1-4H3
InChIKeyWQELGJBOESPMNT-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.72
Rot. Bonds2

About 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine

3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine (PubChem CID 3094473) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine
PubChem CID3094473
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine
SMILESCN(C)C1CS(=O)(=O)CC1N(C)C
InChIInChI=1S/C8H18N2O2S/c1-9(2)7-5-13(11,12)6-8(7)10(3)4/h7-8H,5-6H2,1-4H3
InChIKeyWQELGJBOESPMNT-UHFFFAOYSA-N
XLogP-0.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine (CID 3094473) is 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine is CN(C)C1CS(=O)(=O)CC1N(C)C.
What is the InChIKey of 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine?
The InChIKey is WQELGJBOESPMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-9(2)7-5-13(11,12)6-8(7)10(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine?
3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine has a molecular weight of 206.31 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,4-N-tetramethyl-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 3094473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).