3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol

C11H25NO2S — CID 79672307

IUPAC3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol
SMILESCCCNC(CC)C(C)SCC(O)CO
InChIInChI=1S/C11H25NO2S/c1-4-6-12-11(5-2)9(3)15-8-10(14)7-13/h9-14H,4-8H2,1-3H3
InChIKeyNWAZRDLTQDTXNH-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.24
Rot. Bonds9

About 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol

3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol (PubChem CID 79672307) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol
PubChem CID79672307
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol
SMILESCCCNC(CC)C(C)SCC(O)CO
InChIInChI=1S/C11H25NO2S/c1-4-6-12-11(5-2)9(3)15-8-10(14)7-13/h9-14H,4-8H2,1-3H3
InChIKeyNWAZRDLTQDTXNH-UHFFFAOYSA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
CID 107772704
3-[1-(4-methoxyphenyl)-1-(propylamino)propan-2-yl]sulfanylpropane-1,2-diol
CID 79672101
2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol
CID 66102569
2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
CID 64611487
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
4-ethyl-5-methyl-N-propylhexan-3-amine
CID 79307988
3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
CID 107772434
3-[2-(2-methylpentan-3-ylamino)ethylsulfanyl]propan-1-ol
CID 115717861
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]sulfanyl]propane-1,2-diol
CID 83123991
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol (CID 79672307) is 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol is CCCNC(CC)C(C)SCC(O)CO.
What is the InChIKey of 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol?
The InChIKey is NWAZRDLTQDTXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-6-12-11(5-2)9(3)15-8-10(14)7-13/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol?
3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol has a molecular weight of 235.39 g/mol, XLogP of 1.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 79672307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).