2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol

C11H16N2O4S2 — CID 9114074

IUPAC2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol
SMILESO=S(=O)(c1ccc(SCCO)nc1)N1CCOCC1
InChIInChI=1S/C11H16N2O4S2/c14-5-8-18-11-2-1-10(9-12-11)19(15,16)13-3-6-17-7-4-13/h1-2,9,14H,3-8H2
InChIKeySGGRVBCAGPMULA-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.19
Rot. Bonds5

About 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol

2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol (PubChem CID 9114074) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol
PubChem CID9114074
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol
SMILESO=S(=O)(c1ccc(SCCO)nc1)N1CCOCC1
InChIInChI=1S/C11H16N2O4S2/c14-5-8-18-11-2-1-10(9-12-11)19(15,16)13-3-6-17-7-4-13/h1-2,9,14H,3-8H2
InChIKeySGGRVBCAGPMULA-UHFFFAOYSA-N
XLogP0.19
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
2-(5-Piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide
CID 7759315
2-[(5-Pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetic acid
CID 8933212
2-(4-Morpholinyl)-2-oxoethyl 2-pyridinyl sulfide
CID 592408
2-(5-Pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanol
CID 2565388
4-[[6-[(4-Tert-butylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 7774872
N-ethyl-2-[(5-morpholinosulfonyl-2-pyridyl)thio]-N-phenyl-propionamide
CID 16276811
N-methyl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 16305410
N-(methylcarbamoyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16327100
N-(3,4-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16329756
2-{[5-(Piperidine-1-sulfonyl)pyridin-2-yl]sulfanyl}propanenitrile
CID 16304447
4-[6-[(4-Propan-2-ylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine
CID 7570114

Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol?
The IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol (CID 9114074) is 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol?
The canonical SMILES for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol is O=S(=O)(c1ccc(SCCO)nc1)N1CCOCC1.
What is the InChIKey of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol?
The InChIKey is SGGRVBCAGPMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c14-5-8-18-11-2-1-10(9-12-11)19(15,16)13-3-6-17-7-4-13/h1-2,9,14H,3-8H2.
What are the key properties of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol?
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol has a molecular weight of 304.39 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol is sourced from PubChem (CID 9114074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).