3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine

C12H24N2O2S — CID 55108718

IUPAC3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine
SMILESCC1CCCC(N(C)C2CS(=O)(=O)CC2N)C1
InChIInChI=1S/C12H24N2O2S/c1-9-4-3-5-10(6-9)14(2)12-8-17(15,16)7-11(12)13/h9-12H,3-8,13H2,1-2H3
InChIKeyDIOBHOWTAIUHAR-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds2

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

3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine (PubChem CID 55108718) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine
PubChem CID55108718
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine
SMILESCC1CCCC(N(C)C2CS(=O)(=O)CC2N)C1
InChIInChI=1S/C12H24N2O2S/c1-9-4-3-5-10(6-9)14(2)12-8-17(15,16)7-11(12)13/h9-12H,3-8,13H2,1-2H3
InChIKeyDIOBHOWTAIUHAR-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine (CID 55108718) is 3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine is CC1CCCC(N(C)C2CS(=O)(=O)CC2N)C1.
What is the InChIKey of 3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine?
The InChIKey is DIOBHOWTAIUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9-4-3-5-10(6-9)14(2)12-8-17(15,16)7-11(12)13/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine?
3-N-methyl-3-N-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 2 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-(3-methylcyclohexyl)-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 55108718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).