2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol

C11H16N2O3S2 — CID 2565388

IUPAC2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol
SMILESO=S(=O)(c1ccc(SCCO)nc1)N1CCCC1
InChIInChI=1S/C11H16N2O3S2/c14-7-8-17-11-4-3-10(9-12-11)18(15,16)13-5-1-2-6-13/h3-4,9,14H,1-2,5-8H2
InChIKeyHGYYFMIGPBIKNI-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.95
Rot. Bonds5

About 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol

2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol (PubChem CID 2565388) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol
PubChem CID2565388
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol
SMILESO=S(=O)(c1ccc(SCCO)nc1)N1CCCC1
InChIInChI=1S/C11H16N2O3S2/c14-7-8-17-11-4-3-10(9-12-11)18(15,16)13-5-1-2-6-13/h3-4,9,14H,1-2,5-8H2
InChIKeyHGYYFMIGPBIKNI-UHFFFAOYSA-N
XLogP0.95
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
4-(2-Propynylthio)pyridine-3-sulfonamide
CID 46907399
6-(Phenylsulfonyl)pyridine-3-sulfonamide
CID 819426
2-(5-Piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide
CID 7759315
2-[(5-Pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetic acid
CID 8933212
2-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol
CID 9114074
N,N-dimethyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide
CID 9533791
2-(2-Pyridylthio)ethan-1-ol
CID 2774933
2-Pyridinesulfonylacetonitrile
CID 519355
1-Propan-2-yloxy-3-pyridin-2-ylsulfanylpropan-2-ol
CID 4987134
6-(1-cyanoethylsulfanyl)-N-cyclohexyl-N-methylpyridine-3-sulfonamide
CID 16327248
2-{[5-(Piperidine-1-sulfonyl)pyridin-2-yl]sulfanyl}propanenitrile
CID 16304447

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol?
The IUPAC name of 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol (CID 2565388) is 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol?
The canonical SMILES for 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol is O=S(=O)(c1ccc(SCCO)nc1)N1CCCC1.
What is the InChIKey of 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol?
The InChIKey is HGYYFMIGPBIKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c14-7-8-17-11-4-3-10(9-12-11)18(15,16)13-5-1-2-6-13/h3-4,9,14H,1-2,5-8H2.
What are the key properties of 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol?
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol has a molecular weight of 288.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol is sourced from PubChem (CID 2565388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).