N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine

C13H26N2O3S — CID 55241275

IUPACN-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine
SMILESCNCC1(CN(C)C2CCS(=O)(=O)C2)CCCOC1
InChIInChI=1S/C13H26N2O3S/c1-14-9-13(5-3-6-18-11-13)10-15(2)12-4-7-19(16,17)8-12/h12,14H,3-11H2,1-2H3
InChIKeyJRIJPUMMRSQHJJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.12
Rot. Bonds5

About N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine

N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine (PubChem CID 55241275) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine
PubChem CID55241275
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine
SMILESCNCC1(CN(C)C2CCS(=O)(=O)C2)CCCOC1
InChIInChI=1S/C13H26N2O3S/c1-14-9-13(5-3-6-18-11-13)10-15(2)12-4-7-19(16,17)8-12/h12,14H,3-11H2,1-2H3
InChIKeyJRIJPUMMRSQHJJ-UHFFFAOYSA-N
XLogP0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine (CID 55241275) is N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine is CNCC1(CN(C)C2CCS(=O)(=O)C2)CCCOC1.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is JRIJPUMMRSQHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-14-9-13(5-3-6-18-11-13)10-15(2)12-4-7-19(16,17)8-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine?
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 290.43 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55241275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).