1-octoxy-3-(thiolan-3-ylamino)propan-2-ol

C15H31NO2S — CID 103062780

IUPAC1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
SMILESCCCCCCCCOCC(O)CNC1CCSC1
InChIInChI=1S/C15H31NO2S/c1-2-3-4-5-6-7-9-18-12-15(17)11-16-14-8-10-19-13-14/h14-17H,2-13H2,1H3
InChIKeyBJWFBAALJAHJHF-UHFFFAOYSA-N
MW289.49 g/mol
LogP2.82
Rot. Bonds12

About 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol

1-octoxy-3-(thiolan-3-ylamino)propan-2-ol (PubChem CID 103062780) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
PubChem CID103062780
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
SMILESCCCCCCCCOCC(O)CNC1CCSC1
InChIInChI=1S/C15H31NO2S/c1-2-3-4-5-6-7-9-18-12-15(17)11-16-14-8-10-19-13-14/h14-17H,2-13H2,1H3
InChIKeyBJWFBAALJAHJHF-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062838
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79357968
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
CID 60632322

Frequently Asked Questions

What is the IUPAC name of 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol?
The IUPAC name of 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol (CID 103062780) is 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol is CCCCCCCCOCC(O)CNC1CCSC1.
What is the InChIKey of 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol?
The InChIKey is BJWFBAALJAHJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-2-3-4-5-6-7-9-18-12-15(17)11-16-14-8-10-19-13-14/h14-17H,2-13H2,1H3.
What are the key properties of 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol?
1-octoxy-3-(thiolan-3-ylamino)propan-2-ol has a molecular weight of 289.49 g/mol, XLogP of 2.82, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxy-3-(thiolan-3-ylamino)propan-2-ol is sourced from PubChem (CID 103062780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).