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

C9H21NOS — CID 106246319

IUPAC1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCN(CC)CC(C)(O)CSC
InChIInChI=1S/C9H21NOS/c1-5-10(6-2)7-9(3,11)8-12-4/h11H,5-8H2,1-4H3
InChIKeyNZCUMNAJKGHYAR-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.44
Rot. Bonds6

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

1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246319) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246319
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCN(CC)CC(C)(O)CSC
InChIInChI=1S/C9H21NOS/c1-5-10(6-2)7-9(3,11)8-12-4/h11H,5-8H2,1-4H3
InChIKeyNZCUMNAJKGHYAR-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246319) is 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CCN(CC)CC(C)(O)CSC.
What is the InChIKey of 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is NZCUMNAJKGHYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-5-10(6-2)7-9(3,11)8-12-4/h11H,5-8H2,1-4H3.
What are the key properties of 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 191.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).