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

C12H22N2O4S — CID 55065507

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCCCC1C(=O)N1CCC(CO)C1
InChIInChI=1S/C12H22N2O4S/c1-19(17,18)14-6-3-2-4-11(14)12(16)13-7-5-10(8-13)9-15/h10-11,15H,2-9H2,1H3
InChIKeyBSUTWCXAGZXLFT-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.36
Rot. Bonds3

About [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone (PubChem CID 55065507) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
PubChem CID55065507
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCCCC1C(=O)N1CCC(CO)C1
InChIInChI=1S/C12H22N2O4S/c1-19(17,18)14-6-3-2-4-11(14)12(16)13-7-5-10(8-13)9-15/h10-11,15H,2-9H2,1H3
InChIKeyBSUTWCXAGZXLFT-UHFFFAOYSA-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

Analyze [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 79030040
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 62356591
(3S)-1-(1-methylsulfonylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 81119956
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-methylsulfonylpiperidin-2-yl]methanone
CID 125146980
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone
CID 139202492
2-[4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetic acid
CID 43521379
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 119483476
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91945389
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone
CID 100856759

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone (CID 55065507) is [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone is CS(=O)(=O)N1CCCCC1C(=O)N1CCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone?
The InChIKey is BSUTWCXAGZXLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-19(17,18)14-6-3-2-4-11(14)12(16)13-7-5-10(8-13)9-15/h10-11,15H,2-9H2,1H3.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-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 [3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone is sourced from PubChem (CID 55065507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).