3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol

C7H17NO2S — CID 112706126

IUPAC3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
SMILESCSCCN(C)CC(O)CO
InChIInChI=1S/C7H17NO2S/c1-8(3-4-11-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3
InChIKeyILFJLRMLOOUNQK-UHFFFAOYSA-N
MW179.28 g/mol
LogP-0.37
Rot. Bonds6

About 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol

3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol (PubChem CID 112706126) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
PubChem CID112706126
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
SMILESCSCCN(C)CC(O)CO
InChIInChI=1S/C7H17NO2S/c1-8(3-4-11-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3
InChIKeyILFJLRMLOOUNQK-UHFFFAOYSA-N
XLogP-0.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
CID 22058011
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
2,2-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)ethanamine
CID 112661895
1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
CID 115665602
2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoic acid
CID 112661463
3-[methyl-[3-(methylamino)propyl]amino]propane-1,2-diol
CID 82850479
3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
CID 115773225
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-ol
CID 112657387
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
CID 103954998
3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol (CID 112706126) is 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol is CSCCN(C)CC(O)CO.
What is the InChIKey of 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol?
The InChIKey is ILFJLRMLOOUNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-8(3-4-11-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol?
3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol has a molecular weight of 179.28 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol is sourced from PubChem (CID 112706126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).