4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine

C12H25NO2S — CID 58905129

IUPAC4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine
SMILESCCC(C)(CC)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-5-12(3,6-2)11-7-9-13(10-8-11)16(4,14)15/h11H,5-10H2,1-4H3
InChIKeyBSNVAKNPQGQLTM-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.48
Rot. Bonds4

About 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine

4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine (PubChem CID 58905129) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine
PubChem CID58905129
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine
SMILESCCC(C)(CC)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-5-12(3,6-2)11-7-9-13(10-8-11)16(4,14)15/h11H,5-10H2,1-4H3
InChIKeyBSNVAKNPQGQLTM-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine (CID 58905129) is 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine is CCC(C)(CC)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine?
The InChIKey is BSNVAKNPQGQLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-12(3,6-2)11-7-9-13(10-8-11)16(4,14)15/h11H,5-10H2,1-4H3.
What are the key properties of 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine?
4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine 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 4-(3-methylpentan-3-yl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 58905129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).