1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol

C14H28N2O3S — CID 106325500

IUPAC1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
SMILESOC(CNCCN1CCSCC1)COCC1CCCO1
InChIInChI=1S/C14H28N2O3S/c17-13(11-18-12-14-2-1-7-19-14)10-15-3-4-16-5-8-20-9-6-16/h13-15,17H,1-12H2
InChIKeyMUNFRMDYPATJIE-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.18
Rot. Bonds9

About 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol

1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol (PubChem CID 106325500) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
PubChem CID106325500
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
SMILESOC(CNCCN1CCSCC1)COCC1CCCO1
InChIInChI=1S/C14H28N2O3S/c17-13(11-18-12-14-2-1-7-19-14)10-15-3-4-16-5-8-20-9-6-16/h13-15,17H,1-12H2
InChIKeyMUNFRMDYPATJIE-UHFFFAOYSA-N
XLogP0.18
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106025608
3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
CID 83121091
1-(2-methylpropoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 114173841
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 63897813
1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325720
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol?
The IUPAC name of 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol (CID 106325500) is 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol is OC(CNCCN1CCSCC1)COCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol?
The InChIKey is MUNFRMDYPATJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c17-13(11-18-12-14-2-1-7-19-14)10-15-3-4-16-5-8-20-9-6-16/h13-15,17H,1-12H2.
What are the key properties of 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol?
1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol has a molecular weight of 304.46 g/mol, XLogP of 0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol is sourced from PubChem (CID 106325500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).