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

C8H18N2O2S — CID 62694433

IUPAC3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
SMILESCCN(CC)C1CS(=O)(=O)CC1N
InChIInChI=1S/C8H18N2O2S/c1-3-10(4-2)8-6-13(11,12)5-7(8)9/h7-8H,3-6,9H2,1-2H3
InChIKeyCNDDUKQKSGNPKC-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.55
Rot. Bonds3

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

3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine (PubChem CID 62694433) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
PubChem CID62694433
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
SMILESCCN(CC)C1CS(=O)(=O)CC1N
InChIInChI=1S/C8H18N2O2S/c1-3-10(4-2)8-6-13(11,12)5-7(8)9/h7-8H,3-6,9H2,1-2H3
InChIKeyCNDDUKQKSGNPKC-UHFFFAOYSA-N
XLogP-0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine (CID 62694433) is 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine is CCN(CC)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine?
The InChIKey is CNDDUKQKSGNPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-10(4-2)8-6-13(11,12)5-7(8)9/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine?
3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine has a molecular weight of 206.31 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 62694433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).