1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine

C13H26N2O2S — CID 55232220

IUPAC1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESCC(C)(C)S(=O)(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H26N2O2S/c1-13(2,3)18(16,17)15-9-6-11(7-10-15)12-5-4-8-14-12/h11-12,14H,4-10H2,1-3H3
InChIKeyPUVYMXWIZKCCRG-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds2

About 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine

1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 55232220) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine
PubChem CID55232220
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESCC(C)(C)S(=O)(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H26N2O2S/c1-13(2,3)18(16,17)15-9-6-11(7-10-15)12-5-4-8-14-12/h11-12,14H,4-10H2,1-3H3
InChIKeyPUVYMXWIZKCCRG-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714170
1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
CID 106727944
N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 120714267
methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
CID 63259471
1-tert-butylsulfonyl-4-chloropiperidine
CID 63689196
1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine
CID 103832257
1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714166
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
1-(2-bromo-4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714383
N-methyl-3-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 114810564
2-cyclopentylpyrrolidine
CID 4031549
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine (CID 55232220) is 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine is CC(C)(C)S(=O)(=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is PUVYMXWIZKCCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2,3)18(16,17)15-9-6-11(7-10-15)12-5-4-8-14-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine?
1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine has a molecular weight of 274.43 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 55232220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).