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

C14H31NOS — CID 3040153

IUPAC1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
SMILESCCCCN(CCCC)CC(O)CSC(C)C
InChIInChI=1S/C14H31NOS/c1-5-7-9-15(10-8-6-2)11-14(16)12-17-13(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyJEBCIIWSPIDHMO-UHFFFAOYSA-N
MW261.47 g/mol
LogP3.39
Rot. Bonds11

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

1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol (PubChem CID 3040153) has the molecular formula C14H31NOS and a molecular weight of 261.47 g/mol. Its IUPAC name is 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
PubChem CID3040153
Molecular FormulaC14H31NOS
Molecular Weight261.47 g/mol
Exact Mass261.21
IUPAC Name1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol
SMILESCCCCN(CCCC)CC(O)CSC(C)C
InChIInChI=1S/C14H31NOS/c1-5-7-9-15(10-8-6-2)11-14(16)12-17-13(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyJEBCIIWSPIDHMO-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride
CID 3040181
1-(dibutylamino)undecan-2-ol
CID 101275149
1-(dipentylamino)butan-2-ol
CID 21496903
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
1-[2-hydroxybutyl(pentyl)amino]butan-2-ol
CID 23423727
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
ethane;1,3,5-tris[3-(dibutylamino)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 142609428
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
1-[2-hydroxypropyl(pentyl)amino]butan-2-ol
CID 23423726
2-(dioctylamino)ethane-1,1-diol
CID 87744502
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005

Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol (CID 3040153) is 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol is CCCCN(CCCC)CC(O)CSC(C)C.
What is the InChIKey of 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol?
The InChIKey is JEBCIIWSPIDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NOS/c1-5-7-9-15(10-8-6-2)11-14(16)12-17-13(3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol?
1-(dibutylamino)-3-propan-2-ylsulfanylpropan-2-ol has a molecular weight of 261.47 g/mol, XLogP of 3.39, 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 is sourced from PubChem (CID 3040153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).