[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol

C12H17ClN2O3S — CID 98794710

IUPAC[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)[C@H]1CO
InChIInChI=1S/C12H17ClN2O3S/c1-9-3-2-6-15(11(9)8-16)19(17,18)10-4-5-12(13)14-7-10/h4-5,7,9,11,16H,2-3,6,8H2,1H3/t9-,11+/m1/s1
InChIKeyPFXGYPQGHQUNHI-KOLCDFICSA-N
MW304.80 g/mol
LogP1.52
Rot. Bonds3

About [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol

[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol (PubChem CID 98794710) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
PubChem CID98794710
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)[C@H]1CO
InChIInChI=1S/C12H17ClN2O3S/c1-9-3-2-6-15(11(9)8-16)19(17,18)10-4-5-12(13)14-7-10/h4-5,7,9,11,16H,2-3,6,8H2,1H3/t9-,11+/m1/s1
InChIKeyPFXGYPQGHQUNHI-KOLCDFICSA-N
XLogP1.52
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.52
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

2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
[(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305811
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
tert-butyl 2-[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-2-yl]acetate
CID 166419646
(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541443
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol?
The IUPAC name of [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol (CID 98794710) is [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol?
The canonical SMILES for [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol is C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2)[C@H]1CO.
What is the InChIKey of [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol?
The InChIKey is PFXGYPQGHQUNHI-KOLCDFICSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9-3-2-6-15(11(9)8-16)19(17,18)10-4-5-12(13)14-7-10/h4-5,7,9,11,16H,2-3,6,8H2,1H3/t9-,11+/m1/s1.
What are the key properties of [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol?
[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol has a molecular weight of 304.80 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 98794710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).