3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine

C9H20N2O2S — CID 62692734

IUPAC3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
SMILESCC(C)CN(C)C1CS(=O)(=O)CC1N
InChIInChI=1S/C9H20N2O2S/c1-7(2)4-11(3)9-6-14(12,13)5-8(9)10/h7-9H,4-6,10H2,1-3H3
InChIKeyJQRVSPYMYFCCHH-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.30
Rot. Bonds3

About 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine

3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine (PubChem CID 62692734) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
PubChem CID62692734
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
SMILESCC(C)CN(C)C1CS(=O)(=O)CC1N
InChIInChI=1S/C9H20N2O2S/c1-7(2)4-11(3)9-6-14(12,13)5-8(9)10/h7-9H,4-6,10H2,1-3H3
InChIKeyJQRVSPYMYFCCHH-UHFFFAOYSA-N
XLogP-0.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-bis(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62691467
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
3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
CID 62694433
3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1,1-dioxothiolane-3,4-diamine
CID 63236844
3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 62692316
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 55108817
3-N-methyl-1,1-dioxo-3-N-(2-pyridin-4-ylethyl)thiolane-3,4-diamine
CID 62694024
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62694441
3-N-(2-methoxyethyl)-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62691686
3-N-[(5-bromothiophen-3-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
CID 62693689
4-[2,2-difluoroethyl(methyl)amino]-1,1-dioxothiolan-3-ol
CID 115773224

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine (CID 62692734) is 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine is CC(C)CN(C)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine?
The InChIKey is JQRVSPYMYFCCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(2)4-11(3)9-6-14(12,13)5-8(9)10/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine?
3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine has a molecular weight of 220.34 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 62692734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).