2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine

C12H24N2O2S — CID 54972673

IUPAC2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine
SMILESCCC1CCCCN1S(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H24N2O2S/c1-2-12-7-3-4-9-14(12)17(15,16)10-11-6-5-8-13-11/h11-13H,2-10H2,1H3
InChIKeyQFDQCKDMDNKOGW-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.33
Rot. Bonds4

About 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine

2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine (PubChem CID 54972673) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine
PubChem CID54972673
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine
SMILESCCC1CCCCN1S(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H24N2O2S/c1-2-12-7-3-4-9-14(12)17(15,16)10-11-6-5-8-13-11/h11-13H,2-10H2,1H3
InChIKeyQFDQCKDMDNKOGW-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine (CID 54972673) is 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine is CCC1CCCCN1S(=O)(=O)CC1CCCN1.
What is the InChIKey of 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine?
The InChIKey is QFDQCKDMDNKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-12-7-3-4-9-14(12)17(15,16)10-11-6-5-8-13-11/h11-13H,2-10H2,1H3.
What are the key properties of 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine?
2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine has a molecular weight of 260.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 54972673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).