[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C12H22N2O4S — CID 66261063

IUPAC[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2CO)CC1
InChIInChI=1S/C12H22N2O4S/c1-19(17,18)13-7-4-10(5-8-13)12(16)14-6-2-3-11(14)9-15/h10-11,15H,2-9H2,1H3/t11-/m1/s1
InChIKeyQYDLSKOACBJUGU-LLVKDONJSA-N
MW290.39 g/mol
LogP-0.36
Rot. Bonds3

About [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 66261063) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID66261063
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2CO)CC1
InChIInChI=1S/C12H22N2O4S/c1-19(17,18)13-7-4-10(5-8-13)12(16)14-6-2-3-11(14)9-15/h10-11,15H,2-9H2,1H3/t11-/m1/s1
InChIKeyQYDLSKOACBJUGU-LLVKDONJSA-N
XLogP-0.36
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 60741388
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 49048664
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
(4-tert-butylcyclohexyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261951
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131933868
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 104963820
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110886448
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62781610
1-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 61409138

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 66261063) is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2CO)CC1.
What is the InChIKey of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is QYDLSKOACBJUGU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-19(17,18)13-7-4-10(5-8-13)12(16)14-6-2-3-11(14)9-15/h10-11,15H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 66261063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).