3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine

C11H24N2O4S — CID 55108817

IUPAC3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
SMILESCOCCN(C(C)COC)C1CS(=O)(=O)CC1N
InChIInChI=1S/C11H24N2O4S/c1-9(6-17-3)13(4-5-16-2)11-8-18(14,15)7-10(11)12/h9-11H,4-8,12H2,1-3H3
InChIKeyUGWBEYXHKFVHKE-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.91
Rot. Bonds7

About 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine

3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine (PubChem CID 55108817) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
PubChem CID55108817
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
SMILESCOCCN(C(C)COC)C1CS(=O)(=O)CC1N
InChIInChI=1S/C11H24N2O4S/c1-9(6-17-3)13(4-5-16-2)11-8-18(14,15)7-10(11)12/h9-11H,4-8,12H2,1-3H3
InChIKeyUGWBEYXHKFVHKE-UHFFFAOYSA-N
XLogP-0.91
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 62692316
3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62691686
2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 55000765
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)cyclopentane-1,3-diamine
CID 79469576
3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
CID 62694433
3-N,3-N-bis(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62691467
2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 80998461
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998787
3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62693591
3-N-ethyl-3-N-(2-methylbutyl)-1,1-dioxothiolane-3,4-diamine
CID 79476664
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine (CID 55108817) is 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine is COCCN(C(C)COC)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine?
The InChIKey is UGWBEYXHKFVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-9(6-17-3)13(4-5-16-2)11-8-18(14,15)7-10(11)12/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine?
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine has a molecular weight of 280.39 g/mol, XLogP of -0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 55108817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).