3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine

C12H26N2O3S — CID 62691686

IUPAC3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
SMILESCCC(CC)N(CCOC)C1CS(=O)(=O)CC1N
InChIInChI=1S/C12H26N2O3S/c1-4-10(5-2)14(6-7-17-3)12-9-18(15,16)8-11(12)13/h10-12H,4-9,13H2,1-3H3
InChIKeyWCVXJCALDDOETG-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.25
Rot. Bonds7

About 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine

3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine (PubChem CID 62691686) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
PubChem CID62691686
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
SMILESCCC(CC)N(CCOC)C1CS(=O)(=O)CC1N
InChIInChI=1S/C12H26N2O3S/c1-4-10(5-2)14(6-7-17-3)12-9-18(15,16)8-11(12)13/h10-12H,4-9,13H2,1-3H3
InChIKeyWCVXJCALDDOETG-UHFFFAOYSA-N
XLogP0.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 55108817
3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 62692316
3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62693591
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362
3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine
CID 55004363
3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
CID 62694433
3-N-ethyl-3-N-(2-methylbutyl)-1,1-dioxothiolane-3,4-diamine
CID 79476664
3-N,3-N-bis(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62691467
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine
CID 80999579
N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557736
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine (CID 62691686) is 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine is CCC(CC)N(CCOC)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine?
The InChIKey is WCVXJCALDDOETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-10(5-2)14(6-7-17-3)12-9-18(15,16)8-11(12)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine?
3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine has a molecular weight of 278.42 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine is sourced from PubChem (CID 62691686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).