4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine

C12H24N2O2S — CID 18723217

IUPAC4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine
SMILESCC1(C)CCN(S(=O)(=O)CN2CCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-12(2)5-9-14(10-6-12)17(15,16)11-13-7-3-4-8-13/h3-11H2,1-2H3
InChIKeyFNFQEJJLQSZEJJ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.49
Rot. Bonds3

About 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine

4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine (PubChem CID 18723217) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine
PubChem CID18723217
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine
SMILESCC1(C)CCN(S(=O)(=O)CN2CCCC2)CC1
InChIInChI=1S/C12H24N2O2S/c1-12(2)5-9-14(10-6-12)17(15,16)11-13-7-3-4-8-13/h3-11H2,1-2H3
InChIKeyFNFQEJJLQSZEJJ-UHFFFAOYSA-N
XLogP1.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine?
The IUPAC name of 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine (CID 18723217) is 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine is CC1(C)CCN(S(=O)(=O)CN2CCCC2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine?
The InChIKey is FNFQEJJLQSZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(2)5-9-14(10-6-12)17(15,16)11-13-7-3-4-8-13/h3-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine?
4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine has a molecular weight of 260.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 18723217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).