1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol

C14H29NO2S — CID 63966706

IUPAC1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCSCC(C)CNCC(O)COC1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-12(11-18-2)8-15-9-13(16)10-17-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3
InChIKeyCCSDIGAXMPYPOW-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.29
Rot. Bonds9

About 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol

1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol (PubChem CID 63966706) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
PubChem CID63966706
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCSCC(C)CNCC(O)COC1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-12(11-18-2)8-15-9-13(16)10-17-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3
InChIKeyCCSDIGAXMPYPOW-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 62991174
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966276
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
CID 60635341
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol (CID 63966706) is 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol is CSCC(C)CNCC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
The InChIKey is CCSDIGAXMPYPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-12(11-18-2)8-15-9-13(16)10-17-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol?
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol has a molecular weight of 275.46 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol is sourced from PubChem (CID 63966706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).