1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol

C17H27NOS — CID 20573336

IUPAC1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)Cc1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C17H27NOS/c1-2-18-13-15(19)12-14-8-10-17(11-9-14)20-16-6-4-3-5-7-16/h8-11,15-16,18-19H,2-7,12-13H2,1H3
InChIKeyJPRCNXJAVUBRGQ-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.62
Rot. Bonds7

About 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol

1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol (PubChem CID 20573336) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol
PubChem CID20573336
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)Cc1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C17H27NOS/c1-2-18-13-15(19)12-14-8-10-17(11-9-14)20-16-6-4-3-5-7-16/h8-11,15-16,18-19H,2-7,12-13H2,1H3
InChIKeyJPRCNXJAVUBRGQ-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol (CID 20573336) is 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol is CCNCC(O)Cc1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol?
The InChIKey is JPRCNXJAVUBRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-18-13-15(19)12-14-8-10-17(11-9-14)20-16-6-4-3-5-7-16/h8-11,15-16,18-19H,2-7,12-13H2,1H3.
What are the key properties of 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol?
1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol has a molecular weight of 293.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 20573336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).