1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol

C13H20N2O3S — CID 79538362

IUPAC1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
SMILESCC(O)CC1CCCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H20N2O3S/c1-11(16)9-12-5-2-3-8-15(12)19(17,18)13-6-4-7-14-10-13/h4,6-7,10-12,16H,2-3,5,8-9H2,1H3
InChIKeyVJIOPLWHCWOHHB-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.40
Rot. Bonds4

About 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol

1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol (PubChem CID 79538362) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
PubChem CID79538362
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
SMILESCC(O)CC1CCCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H20N2O3S/c1-11(16)9-12-5-2-3-8-15(12)19(17,18)13-6-4-7-14-10-13/h4,6-7,10-12,16H,2-3,5,8-9H2,1H3
InChIKeyVJIOPLWHCWOHHB-UHFFFAOYSA-N
XLogP1.40
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
CID 79541603
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol
CID 79559692
1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone
CID 75517518
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
CID 95828932
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 6467830

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol (CID 79538362) is 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol is CC(O)CC1CCCCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol?
The InChIKey is VJIOPLWHCWOHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11(16)9-12-5-2-3-8-15(12)19(17,18)13-6-4-7-14-10-13/h4,6-7,10-12,16H,2-3,5,8-9H2,1H3.
What are the key properties of 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol?
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol has a molecular weight of 284.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol is sourced from PubChem (CID 79538362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).