piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone

C14H27N3O3S — CID 106727923

IUPACpiperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone
SMILESCC(C)S(=O)(=O)CCN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H27N3O3S/c1-12(2)21(19,20)11-10-16-7-3-4-13(16)14(18)17-8-5-15-6-9-17/h12-13,15H,3-11H2,1-2H3
InChIKeyCXDWKUQHMQEWNL-UHFFFAOYSA-N
MW317.46 g/mol
LogP-0.29
Rot. Bonds5

About piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone

piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone (PubChem CID 106727923) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone
PubChem CID106727923
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Namepiperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone
SMILESCC(C)S(=O)(=O)CCN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H27N3O3S/c1-12(2)21(19,20)11-10-16-7-3-4-13(16)14(18)17-8-5-15-6-9-17/h12-13,15H,3-11H2,1-2H3
InChIKeyCXDWKUQHMQEWNL-UHFFFAOYSA-N
XLogP-0.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-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

[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63192291
tert-butyl (2S)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carboxylate
CID 103773648
1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carbothioamide
CID 106724873
[1-[3-(dimethylamino)propyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 114525980
2-methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanenitrile
CID 61175138
5-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pentanenitrile
CID 61177820
N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 61175724
[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-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanamine
CID 84698058

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone (CID 106727923) is piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone is CC(C)S(=O)(=O)CCN1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone?
The InChIKey is CXDWKUQHMQEWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-12(2)21(19,20)11-10-16-7-3-4-13(16)14(18)17-8-5-15-6-9-17/h12-13,15H,3-11H2,1-2H3.
What are the key properties of piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone?
piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone has a molecular weight of 317.46 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-(2-propan-2-ylsulfonylethyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 106727923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).