4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine

C13H25NO3S — CID 69263531

IUPAC4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine
SMILESCC1(CCS(=O)(=O)C2CCOCC2)CCNCC1
InChIInChI=1S/C13H25NO3S/c1-13(4-7-14-8-5-13)6-11-18(15,16)12-2-9-17-10-3-12/h12,14H,2-11H2,1H3
InChIKeyKXWVKGLVQBIMDM-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds4

About 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine

4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine (PubChem CID 69263531) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine
PubChem CID69263531
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine
SMILESCC1(CCS(=O)(=O)C2CCOCC2)CCNCC1
InChIInChI=1S/C13H25NO3S/c1-13(4-7-14-8-5-13)6-11-18(15,16)12-2-9-17-10-3-12/h12,14H,2-11H2,1H3
InChIKeyKXWVKGLVQBIMDM-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-Thia-9-azaspiro[5.5]undecane 3,3-dioxide
CID 63156497
[4-Methyl-1-[(4-methylsulfonyloxan-4-yl)methyl]piperidin-4-yl]methanamine
CID 69820467
4-Methyl-4-[2-(oxan-2-ylsulfonyl)ethyl]piperidine
CID 90947247
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 122693623
{[4-(Methanesulfonylmethyl)oxan-4-yl]methyl}(methyl)amine
CID 139514127
Ethane;4-methyloxane;4-methylpiperidine;4-methylthiane 1,1-dioxide
CID 156877303
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066713
N-[[3-(2-butoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55106737
N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine
CID 55130641
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CID 55131029

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine?
The IUPAC name of 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine (CID 69263531) is 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine.
What is the SMILES notation for 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine?
The canonical SMILES for 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine is CC1(CCS(=O)(=O)C2CCOCC2)CCNCC1.
What is the InChIKey of 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine?
The InChIKey is KXWVKGLVQBIMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-13(4-7-14-8-5-13)6-11-18(15,16)12-2-9-17-10-3-12/h12,14H,2-11H2,1H3.
What are the key properties of 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine?
4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine has a molecular weight of 275.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-(oxan-4-ylsulfonyl)ethyl]piperidine is sourced from PubChem (CID 69263531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).