[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol

C11H15ClN2O3S — CID 43590367

IUPAC[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCC(CO)C1
InChIInChI=1S/C11H15ClN2O3S/c12-11-4-3-10(6-13-11)18(16,17)14-5-1-2-9(7-14)8-15/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyZFBPBUJPWBZENJ-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.13
Rot. Bonds3

About [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol

[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol (PubChem CID 43590367) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
PubChem CID43590367
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCCC(CO)C1
InChIInChI=1S/C11H15ClN2O3S/c12-11-4-3-10(6-13-11)18(16,17)14-5-1-2-9(7-14)8-15/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyZFBPBUJPWBZENJ-UHFFFAOYSA-N
XLogP1.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644
[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
CID 98794710
2-chloro-5-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonylpyridine
CID 96566864
(3S)-N-(2-adamantyl)-1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 89358160
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
CID 163464809
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
CID 114150451
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol (CID 43590367) is [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol is O=S(=O)(c1ccc(Cl)nc1)N1CCCC(CO)C1.
What is the InChIKey of [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol?
The InChIKey is ZFBPBUJPWBZENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-11-4-3-10(6-13-11)18(16,17)14-5-1-2-9(7-14)8-15/h3-4,6,9,15H,1-2,5,7-8H2.
What are the key properties of [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol?
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol has a molecular weight of 290.77 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).