4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine

C10H22N2OS — CID 112661242

IUPAC4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine
SMILESCSCC(C)N(C)CC1COCC1N
InChIInChI=1S/C10H22N2OS/c1-8(7-14-3)12(2)4-9-5-13-6-10(9)11/h8-10H,4-7,11H2,1-3H3
InChIKeyQCYJYXRQFSWYAS-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.64
Rot. Bonds5

About 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine

4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine (PubChem CID 112661242) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine
PubChem CID112661242
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine
SMILESCSCC(C)N(C)CC1COCC1N
InChIInChI=1S/C10H22N2OS/c1-8(7-14-3)12(2)4-9-5-13-6-10(9)11/h8-10H,4-7,11H2,1-3H3
InChIKeyQCYJYXRQFSWYAS-UHFFFAOYSA-N
XLogP0.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine (CID 112661242) is 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine is CSCC(C)N(C)CC1COCC1N.
What is the InChIKey of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine?
The InChIKey is QCYJYXRQFSWYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(7-14-3)12(2)4-9-5-13-6-10(9)11/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine?
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine has a molecular weight of 218.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 112661242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).