3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine

C12H25NO2S — CID 164775491

IUPAC3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCC(CC(C)(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-5-8-16(14,15)13-7-6-11(10-13)9-12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyUZYKQPIPGUTLJX-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.48
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine

3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine (PubChem CID 164775491) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
PubChem CID164775491
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCC(CC(C)(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-5-8-16(14,15)13-7-6-11(10-13)9-12(2,3)4/h11H,5-10H2,1-4H3
InChIKeyUZYKQPIPGUTLJX-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-(2-chloroethyl)-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 114801945
3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide
CID 88983075
1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone
CID 91921325

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine (CID 164775491) is 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCC(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine?
The InChIKey is UZYKQPIPGUTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-8-16(14,15)13-7-6-11(10-13)9-12(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine?
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine has a molecular weight of 247.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 164775491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).