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

C11H25NOS — CID 106246381

IUPAC1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCCN(CCC)CC(C)(O)CSC
InChIInChI=1S/C11H25NOS/c1-5-7-12(8-6-2)9-11(3,13)10-14-4/h13H,5-10H2,1-4H3
InChIKeyVNLBCHUCTOSHPU-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.22
Rot. Bonds8

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

1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106246381) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106246381
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCCN(CCC)CC(C)(O)CSC
InChIInChI=1S/C11H25NOS/c1-5-7-12(8-6-2)9-11(3,13)10-14-4/h13H,5-10H2,1-4H3
InChIKeyVNLBCHUCTOSHPU-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106246381) is 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CCCN(CCC)CC(C)(O)CSC.
What is the InChIKey of 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is VNLBCHUCTOSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-7-12(8-6-2)9-11(3,13)10-14-4/h13H,5-10H2,1-4H3.
What are the key properties of 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 219.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106246381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).