[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C13H25N3O3S — CID 63192291

IUPAC[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCS(=O)(=O)CCCN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)11-3-8-15-7-2-4-12(15)13(17)16-9-5-14-6-10-16/h12,14H,2-11H2,1H3
InChIKeyJVVFOHGJSSSMLE-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.68
Rot. Bonds5

About [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 63192291) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID63192291
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCS(=O)(=O)CCCN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H25N3O3S/c1-20(18,19)11-3-8-15-7-2-4-12(15)13(17)16-9-5-14-6-10-16/h12,14H,2-11H2,1H3
InChIKeyJVVFOHGJSSSMLE-UHFFFAOYSA-N
XLogP-0.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone
CID 106727923
[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114525980
5-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pentanenitrile
CID 61177820
tert-butyl (2S)-1-(3-methylsulfonylpropyl)pyrrolidine-2-carboxylate
CID 81002807
[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176103
[1-(3-chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114188867
N-carbamoyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 61176660
2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanenitrile
CID 61175138
N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 61175724
(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone
CID 129151320
3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981521
1-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681509

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 63192291) is [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is CS(=O)(=O)CCCN1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is JVVFOHGJSSSMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-20(18,19)11-3-8-15-7-2-4-12(15)13(17)16-9-5-14-6-10-16/h12,14H,2-11H2,1H3.
What are the key properties of [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 303.43 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 63192291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).