1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol

C12H19NOS — CID 79745603

IUPAC1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
SMILESCCSCC(O)Cc1ccc(CC)cn1
InChIInChI=1S/C12H19NOS/c1-3-10-5-6-11(13-8-10)7-12(14)9-15-4-2/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeyDLICDYUBMMGUPP-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.30
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol

1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol (PubChem CID 79745603) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
PubChem CID79745603
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
SMILESCCSCC(O)Cc1ccc(CC)cn1
InChIInChI=1S/C12H19NOS/c1-3-10-5-6-11(13-8-10)7-12(14)9-15-4-2/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeyDLICDYUBMMGUPP-UHFFFAOYSA-N
XLogP2.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79745363
1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 79745838
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745103
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
CID 103456372
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115822379
1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol (CID 79745603) is 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol is CCSCC(O)Cc1ccc(CC)cn1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol?
The InChIKey is DLICDYUBMMGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-10-5-6-11(13-8-10)7-12(14)9-15-4-2/h5-6,8,12,14H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol?
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol has a molecular weight of 225.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol is sourced from PubChem (CID 79745603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).