1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine

C15H30N2O2S — CID 106727944

IUPAC1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
SMILESCC(C)(C)S(=O)(=O)CCN1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)20(18,19)12-11-17-9-6-13(7-10-17)14-5-4-8-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyFSXNTAYIZCJPFU-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine

1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 106727944) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
PubChem CID106727944
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
SMILESCC(C)(C)S(=O)(=O)CCN1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)20(18,19)12-11-17-9-6-13(7-10-17)14-5-4-8-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyFSXNTAYIZCJPFU-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(butylsulfonyl)-4-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 91910159
1-Propylsulfonyl-4-pyrrolidin-3-ylpiperidine
CID 110197847
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
3-Fluoro-3-(2-propylsulfonylethyl)-8-azabicyclo[3.2.1]octane
CID 106735919
3-(2-Tert-butylsulfonylethyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106735920
3-(2-Ethylsulfonylethyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106735921
3-(3-Ethylsulfonylpropyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564651
3-Fluoro-3-(2-propan-2-ylsulfonylethyl)-8-azabicyclo[3.2.1]octane
CID 113871349
2-(1-Piperidin-4-ylethyl)-1,2-thiazolidine 1,1-dioxide
CID 20434904
4-[3-(2-Methylpropylsulfonyl)propyl]piperidine
CID 56997394
4-(3-Butylsulfonylpropyl)piperidine
CID 57078100
4-Methyl-2-(2-methylsulfonylethyl)pyrrolidine
CID 57138235

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine (CID 106727944) is 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine is CC(C)(C)S(=O)(=O)CCN1CCC(C2CCCN2)CC1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is FSXNTAYIZCJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-15(2,3)20(18,19)12-11-17-9-6-13(7-10-17)14-5-4-8-16-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine?
1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 302.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 106727944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).