4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine

C13H26N2O3S — CID 55170569

IUPAC4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESCOCCCS(=O)(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C13H26N2O3S/c1-18-10-3-11-19(16,17)15-9-2-4-13(15)12-5-7-14-8-6-12/h12-14H,2-11H2,1H3
InChIKeyRYFCRUKILDRRSB-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds6

About 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine

4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine (PubChem CID 55170569) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine
PubChem CID55170569
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESCOCCCS(=O)(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C13H26N2O3S/c1-18-10-3-11-19(16,17)15-9-2-4-13(15)12-5-7-14-8-6-12/h12-14H,2-11H2,1H3
InChIKeyRYFCRUKILDRRSB-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine (CID 55170569) is 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine is COCCCS(=O)(=O)N1CCCC1C1CCNCC1.
What is the InChIKey of 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine?
The InChIKey is RYFCRUKILDRRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-18-10-3-11-19(16,17)15-9-2-4-13(15)12-5-7-14-8-6-12/h12-14H,2-11H2,1H3.
What are the key properties of 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine?
4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine has a molecular weight of 290.43 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 55170569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).