[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C14H26N2O4S — CID 60741388

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCCC2CCO)CC1
InChIInChI=1S/C14H26N2O4S/c1-21(19,20)15-9-5-12(6-10-15)14(18)16-8-3-2-4-13(16)7-11-17/h12-13,17H,2-11H2,1H3
InChIKeyXSPRYSVLDIXYEK-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.42
Rot. Bonds4

About [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 60741388) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID60741388
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCCC2CCO)CC1
InChIInChI=1S/C14H26N2O4S/c1-21(19,20)15-9-5-12(6-10-15)14(18)16-8-3-2-4-13(16)7-11-17/h12-13,17H,2-11H2,1H3
InChIKeyXSPRYSVLDIXYEK-UHFFFAOYSA-N
XLogP0.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 66261063
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 49048664
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784488
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
[2-(2-hydroxyethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477689
3-[(2S)-1-[(3S)-1-methylsulfonylpiperidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 125149445
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 113005798
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 82705880

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 60741388) is [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCCCC2CCO)CC1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is XSPRYSVLDIXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-21(19,20)15-9-5-12(6-10-15)14(18)16-8-3-2-4-13(16)7-11-17/h12-13,17H,2-11H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 318.44 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 60741388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).