3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol

C11H23NO2S — CID 106310371

IUPAC3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCC1CCCCO1
InChIInChI=1S/C11H23NO2S/c13-6-3-8-15-9-5-12-10-11-4-1-2-7-14-11/h11-13H,1-10H2
InChIKeyKCOSHFPSPYHFOA-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.26
Rot. Bonds8

About 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol

3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol (PubChem CID 106310371) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol
PubChem CID106310371
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNCC1CCCCO1
InChIInChI=1S/C11H23NO2S/c13-6-3-8-15-9-5-12-10-11-4-1-2-7-14-11/h11-13H,1-10H2
InChIKeyKCOSHFPSPYHFOA-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.26
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

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 103767595
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
3-[2-(pyrrolidin-2-ylmethylamino)ethylsulfanyl]propan-1-ol
CID 106309461
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
N'-tert-butyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 60694368
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol (CID 106310371) is 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol is OCCCSCCNCC1CCCCO1.
What is the InChIKey of 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is KCOSHFPSPYHFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c13-6-3-8-15-9-5-12-10-11-4-1-2-7-14-11/h11-13H,1-10H2.
What are the key properties of 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol?
3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 233.38 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106310371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).