N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine

C13H26N2OS — CID 62390424

IUPACN-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine
SMILESCNCC1(CN(C)C2CCSC2)CCOCC1
InChIInChI=1S/C13H26N2OS/c1-14-10-13(4-6-16-7-5-13)11-15(2)12-3-8-17-9-12/h12,14H,3-11H2,1-2H3
InChIKeyCVZRFEPYGIGQCS-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.44
Rot. Bonds5

About N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine

N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine (PubChem CID 62390424) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine
PubChem CID62390424
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine
SMILESCNCC1(CN(C)C2CCSC2)CCOCC1
InChIInChI=1S/C13H26N2OS/c1-14-10-13(4-6-16-7-5-13)11-15(2)12-3-8-17-9-12/h12,14H,3-11H2,1-2H3
InChIKeyCVZRFEPYGIGQCS-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine?
The IUPAC name of N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine (CID 62390424) is N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine is CNCC1(CN(C)C2CCSC2)CCOCC1.
What is the InChIKey of N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine?
The InChIKey is CVZRFEPYGIGQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-14-10-13(4-6-16-7-5-13)11-15(2)12-3-8-17-9-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine?
N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine has a molecular weight of 258.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 62390424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).