[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

C13H24N2O4S — CID 62356591

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCCC1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H24N2O4S/c1-20(18,19)15-8-3-5-12(15)13(17)14-7-2-4-11(10-14)6-9-16/h11-12,16H,2-10H2,1H3
InChIKeyMQAIZHOOVBAQDN-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.03
Rot. Bonds4

About [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 62356591) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
PubChem CID62356591
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCCC1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H24N2O4S/c1-20(18,19)15-8-3-5-12(15)13(17)14-7-2-4-11(10-14)6-9-16/h11-12,16H,2-10H2,1H3
InChIKeyMQAIZHOOVBAQDN-UHFFFAOYSA-N
XLogP0.03
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 55065507
(3S)-1-(1-methylsulfonylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 81119956
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91945389
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 79030040
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 103950960
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-methylsulfonylpiperidin-2-yl]methanone
CID 125146980
[3-(2-hydroxyethyl)piperidin-1-yl]-(6-methylpiperidin-2-yl)methanone
CID 107227490
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 62468441
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone
CID 139202492

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (CID 62356591) is [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is CS(=O)(=O)N1CCCC1C(=O)N1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is MQAIZHOOVBAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-20(18,19)15-8-3-5-12(15)13(17)14-7-2-4-11(10-14)6-9-16/h11-12,16H,2-10H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 304.41 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 62356591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).