3-(2-aminopentylsulfanyl)propane-1,2-diol

C8H19NO2S — CID 79671997

IUPAC3-(2-aminopentylsulfanyl)propane-1,2-diol
SMILESCCCC(N)CSCC(O)CO
InChIInChI=1S/C8H19NO2S/c1-2-3-7(9)5-12-6-8(11)4-10/h7-8,10-11H,2-6,9H2,1H3
InChIKeyUVFIUZBPQRHHBV-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.20
Rot. Bonds7

About 3-(2-aminopentylsulfanyl)propane-1,2-diol

3-(2-aminopentylsulfanyl)propane-1,2-diol (PubChem CID 79671997) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-(2-aminopentylsulfanyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-aminopentylsulfanyl)propane-1,2-diol
PubChem CID79671997
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-(2-aminopentylsulfanyl)propane-1,2-diol
SMILESCCCC(N)CSCC(O)CO
InChIInChI=1S/C8H19NO2S/c1-2-3-7(9)5-12-6-8(11)4-10/h7-8,10-11H,2-6,9H2,1H3
InChIKeyUVFIUZBPQRHHBV-UHFFFAOYSA-N
XLogP0.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
CID 104889279
(2R)-1-methylsulfanylpentan-2-amine
CID 94552222
3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 106933414
azane;heptan-4-amine
CID 118430725
3-(3-butoxy-2-methylbut-3-enyl)sulfanylpropane-1,2-diol
CID 89007958
1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol
CID 139888300
4-aminohexane-1,2-diol
CID 170888613
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
4-aminohexane-1,2-diol
CID 18615667
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79671253
3-(3-amino-1-hydroxybutan-2-yl)sulfanylpropane-1,2-diol
CID 79670793
1-propylsulfanylundecan-2-amine
CID 65129364

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopentylsulfanyl)propane-1,2-diol?
The IUPAC name of 3-(2-aminopentylsulfanyl)propane-1,2-diol (CID 79671997) is 3-(2-aminopentylsulfanyl)propane-1,2-diol.
What is the SMILES notation for 3-(2-aminopentylsulfanyl)propane-1,2-diol?
The canonical SMILES for 3-(2-aminopentylsulfanyl)propane-1,2-diol is CCCC(N)CSCC(O)CO.
What is the InChIKey of 3-(2-aminopentylsulfanyl)propane-1,2-diol?
The InChIKey is UVFIUZBPQRHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-2-3-7(9)5-12-6-8(11)4-10/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 3-(2-aminopentylsulfanyl)propane-1,2-diol?
3-(2-aminopentylsulfanyl)propane-1,2-diol has a molecular weight of 193.31 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopentylsulfanyl)propane-1,2-diol is sourced from PubChem (CID 79671997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).