1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol

C15H25NO3S — CID 106435077

IUPAC1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
SMILESOC(CNCC(O)c1ccsc1)COC1CCCCC1
InChIInChI=1S/C15H25NO3S/c17-13(10-19-14-4-2-1-3-5-14)8-16-9-15(18)12-6-7-20-11-12/h6-7,11,13-18H,1-5,8-10H2
InChIKeyXRHSSUXGDRQNGU-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.08
Rot. Bonds8

About 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol

1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol (PubChem CID 106435077) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
PubChem CID106435077
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
SMILESOC(CNCC(O)c1ccsc1)COC1CCCCC1
InChIInChI=1S/C15H25NO3S/c17-13(10-19-14-4-2-1-3-5-14)8-16-9-15(18)12-6-7-20-11-12/h6-7,11,13-18H,1-5,8-10H2
InChIKeyXRHSSUXGDRQNGU-UHFFFAOYSA-N
XLogP2.08
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441091
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
2-(2-cyclohexyloxyethylamino)-1-phenylethanol
CID 55259175
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol (CID 106435077) is 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol is OC(CNCC(O)c1ccsc1)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol?
The InChIKey is XRHSSUXGDRQNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c17-13(10-19-14-4-2-1-3-5-14)8-16-9-15(18)12-6-7-20-11-12/h6-7,11,13-18H,1-5,8-10H2.
What are the key properties of 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol?
1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol has a molecular weight of 299.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 106435077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).