1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine

C12H24N2O2S — CID 110197847

IUPAC1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine
SMILESCCCS(=O)(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-7-4-11(5-8-14)12-3-6-13-10-12/h11-13H,2-10H2,1H3
InChIKeyFBIWZSDUBFNOIE-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.05
Rot. Bonds4

About 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine

1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine (PubChem CID 110197847) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine
PubChem CID110197847
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine
SMILESCCCS(=O)(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-7-4-11(5-8-14)12-3-6-13-10-12/h11-13H,2-10H2,1H3
InChIKeyFBIWZSDUBFNOIE-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine (CID 110197847) is 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine is CCCS(=O)(=O)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The InChIKey is FBIWZSDUBFNOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-9-17(15,16)14-7-4-11(5-8-14)12-3-6-13-10-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine?
1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine has a molecular weight of 260.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-4-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 110197847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).