1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol

C14H22N2O3S2 — CID 115940486

IUPAC1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCSCC2S(=O)(=O)CC)cn1
InChIInChI=1S/C14H22N2O3S2/c1-3-13(17)12-6-5-11(9-15-12)16-7-8-20-10-14(16)21(18,19)4-2/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3
InChIKeyUSFVWRDKAVFVDE-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.84
Rot. Bonds5

About 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol

1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol (PubChem CID 115940486) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol
PubChem CID115940486
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCSCC2S(=O)(=O)CC)cn1
InChIInChI=1S/C14H22N2O3S2/c1-3-13(17)12-6-5-11(9-15-12)16-7-8-20-10-14(16)21(18,19)4-2/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3
InChIKeyUSFVWRDKAVFVDE-UHFFFAOYSA-N
XLogP1.84
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol (CID 115940486) is 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N2CCSCC2S(=O)(=O)CC)cn1.
What is the InChIKey of 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is USFVWRDKAVFVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-13(17)12-6-5-11(9-15-12)16-7-8-20-10-14(16)21(18,19)4-2/h5-6,9,13-14,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol?
1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 330.48 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).