3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine

C10H22N2O2S — CID 62693591

IUPAC3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
SMILESCCC(CC)N(C)C1CS(=O)(=O)CC1N
InChIInChI=1S/C10H22N2O2S/c1-4-8(5-2)12(3)10-7-15(13,14)6-9(10)11/h8-10H,4-7,11H2,1-3H3
InChIKeyAYOPLEDYVKYISZ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.23
Rot. Bonds4

About 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine

3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine (PubChem CID 62693591) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
PubChem CID62693591
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
SMILESCCC(CC)N(C)C1CS(=O)(=O)CC1N
InChIInChI=1S/C10H22N2O2S/c1-4-8(5-2)12(3)10-7-15(13,14)6-9(10)11/h8-10H,4-7,11H2,1-3H3
InChIKeyAYOPLEDYVKYISZ-UHFFFAOYSA-N
XLogP0.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62691686
3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
CID 62694433
3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62692734
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
2-N-methyl-2-N-pentan-3-ylcyclohexane-1,2-diamine
CID 43570969
2-[(4-amino-1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 103102710
2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine
CID 80998114
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 55108817
3-N-[1-(3-chlorophenyl)ethyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62979514
3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1,1-dioxothiolane-3,4-diamine
CID 63236844
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62694441

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine?
The IUPAC name of 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine (CID 62693591) is 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine?
The canonical SMILES for 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine is CCC(CC)N(C)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine?
The InChIKey is AYOPLEDYVKYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-8(5-2)12(3)10-7-15(13,14)6-9(10)11/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine?
3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine has a molecular weight of 234.36 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine is sourced from PubChem (CID 62693591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).