1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C7H17NOS — CID 106246335

IUPAC1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CN(C)C
InChIInChI=1S/C7H17NOS/c1-7(9,6-10-4)5-8(2)3/h9H,5-6H2,1-4H3
InChIKeyRFKRITOJHPNEOX-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.66
Rot. Bonds4

About 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246335) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246335
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CN(C)C
InChIInChI=1S/C7H17NOS/c1-7(9,6-10-4)5-8(2)3/h9H,5-6H2,1-4H3
InChIKeyRFKRITOJHPNEOX-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246335) is 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is RFKRITOJHPNEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-7(9,6-10-4)5-8(2)3/h9H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 163.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).