3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine

C12H24N2O3S — CID 55014441

IUPAC3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESCOCCS(=O)(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C12H24N2O3S/c1-17-8-9-18(15,16)14-7-3-5-12(14)11-4-2-6-13-10-11/h11-13H,2-10H2,1H3
InChIKeyYXRMFTPQGVJQMF-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds5

About 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine

3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine (PubChem CID 55014441) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine
PubChem CID55014441
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESCOCCS(=O)(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C12H24N2O3S/c1-17-8-9-18(15,16)14-7-3-5-12(14)11-4-2-6-13-10-11/h11-13H,2-10H2,1H3
InChIKeyYXRMFTPQGVJQMF-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine (CID 55014441) is 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine is COCCS(=O)(=O)N1CCCC1C1CCCNC1.
What is the InChIKey of 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine?
The InChIKey is YXRMFTPQGVJQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-17-8-9-18(15,16)14-7-3-5-12(14)11-4-2-6-13-10-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine?
3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 55014441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).