1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride

C14H32ClNOS — CID 3040152

IUPAC1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride
SMILESCCCCN(CCCC)CC(O)CSC(C)C.Cl
InChIInChI=1S/C14H31NOS.ClH/c1-5-7-9-15(10-8-6-2)11-14(16)12-17-13(3)4;/h13-14,16H,5-12H2,1-4H3;1H
InChIKeyGBYDGFHJXWXETB-UHFFFAOYSA-N
MW297.94 g/mol
LogP3.81
Rot. Bonds11

About 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride

1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride (PubChem CID 3040152) has the molecular formula C14H32ClNOS and a molecular weight of 297.94 g/mol. Its IUPAC name is 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride
PubChem CID3040152
Molecular FormulaC14H32ClNOS
Molecular Weight297.94 g/mol
Exact Mass297.19
IUPAC Name1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride
SMILESCCCCN(CCCC)CC(O)CSC(C)C.Cl
InChIInChI=1S/C14H31NOS.ClH/c1-5-7-9-15(10-8-6-2)11-14(16)12-17-13(3)4;/h13-14,16H,5-12H2,1-4H3;1H
InChIKeyGBYDGFHJXWXETB-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.94
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride (CID 3040152) is 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride is CCCCN(CCCC)CC(O)CSC(C)C.Cl.
What is the InChIKey of 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride?
The InChIKey is GBYDGFHJXWXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NOS.ClH/c1-5-7-9-15(10-8-6-2)11-14(16)12-17-13(3)4;/h13-14,16H,5-12H2,1-4H3;1H.
What are the key properties of 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride?
1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride has a molecular weight of 297.94 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol;hydrochloride is sourced from PubChem (CID 3040152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).