1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol

C16H32N2O2S — CID 106325720

IUPAC1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCCN1CCSCC1
InChIInChI=1S/C16H32N2O2S/c1-14-4-2-3-5-16(14)20-13-15(19)12-17-6-7-18-8-10-21-11-9-18/h14-17,19H,2-13H2,1H3
InChIKeyAGWSXZDSZYCLAF-UHFFFAOYSA-N
MW316.51 g/mol
LogP1.58
Rot. Bonds8

About 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol

1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol (PubChem CID 106325720) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
PubChem CID106325720
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCCN1CCSCC1
InChIInChI=1S/C16H32N2O2S/c1-14-4-2-3-5-16(14)20-13-15(19)12-17-6-7-18-8-10-21-11-9-18/h14-17,19H,2-13H2,1H3
InChIKeyAGWSXZDSZYCLAF-UHFFFAOYSA-N
XLogP1.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-methylpropoxy)-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 114173841
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 106025685
1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632962
3-[2-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113488
1-[2-[ethyl(methyl)amino]ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62636800
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 106104795
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol (CID 106325720) is 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol is CC1CCCCC1OCC(O)CNCCN1CCSCC1.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol?
The InChIKey is AGWSXZDSZYCLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-14-4-2-3-5-16(14)20-13-15(19)12-17-6-7-18-8-10-21-11-9-18/h14-17,19H,2-13H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol has a molecular weight of 316.51 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol is sourced from PubChem (CID 106325720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).