3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine

C13H27NO3S — CID 106726931

IUPAC3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine
SMILESCC(C)(C)S(=O)(=O)CCOCCC1CCCNC1
InChIInChI=1S/C13H27NO3S/c1-13(2,3)18(15,16)10-9-17-8-6-12-5-4-7-14-11-12/h12,14H,4-11H2,1-3H3
InChIKeyHFKJBCMGHYXXMH-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.61
Rot. Bonds6

About 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine

3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine (PubChem CID 106726931) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine
PubChem CID106726931
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine
SMILESCC(C)(C)S(=O)(=O)CCOCCC1CCCNC1
InChIInChI=1S/C13H27NO3S/c1-13(2,3)18(15,16)10-9-17-8-6-12-5-4-7-14-11-12/h12,14H,4-11H2,1-3H3
InChIKeyHFKJBCMGHYXXMH-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
CID 106939866
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55064528
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
N-tert-butyl-2-piperidin-3-ylethanesulfonamide
CID 115046359
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
2-[(3S)-piperidin-3-yl]ethyl 2,2,2-trichloroacetate
CID 86319491

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine (CID 106726931) is 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine is CC(C)(C)S(=O)(=O)CCOCCC1CCCNC1.
What is the InChIKey of 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine?
The InChIKey is HFKJBCMGHYXXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-13(2,3)18(15,16)10-9-17-8-6-12-5-4-7-14-11-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine?
3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine has a molecular weight of 277.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine is sourced from PubChem (CID 106726931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).