3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol

C6H15NO2S — CID 104889279

IUPAC3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
SMILESC[C@H](N)CSCC(O)CO
InChIInChI=1S/C6H15NO2S/c1-5(7)3-10-4-6(9)2-8/h5-6,8-9H,2-4,7H2,1H3/t5-,6?/m0/s1
InChIKeyJXKYJOYAFVMVHD-ZBHICJROSA-N
MW165.26 g/mol
LogP-0.58
Rot. Bonds5

About 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol

3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol (PubChem CID 104889279) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
PubChem CID104889279
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
SMILESC[C@H](N)CSCC(O)CO
InChIInChI=1S/C6H15NO2S/c1-5(7)3-10-4-6(9)2-8/h5-6,8-9H,2-4,7H2,1H3/t5-,6?/m0/s1
InChIKeyJXKYJOYAFVMVHD-ZBHICJROSA-N
XLogP-0.58
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-aminopropyl]sulfanyl-3-butoxypropan-2-ol
CID 91562519
3-(3-Amino-1,1,1-trifluorobutan-2-yl)sulfanylpropane-1,2-diol
CID 79682047
3-(3-Amino-1,1,1-trifluoropentan-2-yl)sulfanylpropane-1,2-diol
CID 79682805
3-(3-Amino-1,1,1-trifluoropropan-2-yl)sulfanylpropane-1,2-diol
CID 79683457
1-[(2-Aminoethyl)sulfanyl]propan-2-ol
CID 222916
2-Amino-3-(ethylsulfanyl)propan-1-ol
CID 13521818
3-(2-Aminoethylsulfanyl)propane-1,2-diol
CID 21322436
(2R)-2-amino-3-(2,3-dihydroxypropylsulfanyl)propanal
CID 53813658
(2R)-2-amino-3-(ethylsulfanyl)propan-1-ol
CID 54475556
(2S,3S)-2-amino-4-methylsulfanylbutane-1,3-diol
CID 58158401
2-[(2S)-2-aminopropyl]sulfanylethanol
CID 60093892
1-(2-Aminoethylsulfanyl)butan-2-ol
CID 60884792

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol (CID 104889279) is 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol is C[C@H](N)CSCC(O)CO.
What is the InChIKey of 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol?
The InChIKey is JXKYJOYAFVMVHD-ZBHICJROSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5(7)3-10-4-6(9)2-8/h5-6,8-9H,2-4,7H2,1H3/t5-,6?/m0/s1.
What are the key properties of 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol?
3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol has a molecular weight of 165.26 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 104889279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).