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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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).