4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol

C10H21NO2S — CID 79332997

IUPAC4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSC1COC1
InChIInChI=1S/C10H21NO2S/c1-2-4-11-9(3-5-12)8-14-10-6-13-7-10/h9-12H,2-8H2,1H3
InChIKeyCAYFMPHMMLHFNU-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.87
Rot. Bonds8

About 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol

4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol (PubChem CID 79332997) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol
PubChem CID79332997
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSC1COC1
InChIInChI=1S/C10H21NO2S/c1-2-4-11-9(3-5-12)8-14-10-6-13-7-10/h9-12H,2-8H2,1H3
InChIKeyCAYFMPHMMLHFNU-UHFFFAOYSA-N
XLogP0.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol (CID 79332997) is 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol is CCCNC(CCO)CSC1COC1.
What is the InChIKey of 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol?
The InChIKey is CAYFMPHMMLHFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-4-11-9(3-5-12)8-14-10-6-13-7-10/h9-12H,2-8H2,1H3.
What are the key properties of 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol?
4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol has a molecular weight of 219.35 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 79332997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).