4-methyl-4-(2-methylpropylsulfonyl)piperidine

C10H21NO2S — CID 140872502

IUPAC4-methyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCC(C)CS(=O)(=O)C1(C)CCNCC1
InChIInChI=1S/C10H21NO2S/c1-9(2)8-14(12,13)10(3)4-6-11-7-5-10/h9,11H,4-8H2,1-3H3
InChIKeyQHFQZQDVCOTKMX-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds3

About 4-methyl-4-(2-methylpropylsulfonyl)piperidine

4-methyl-4-(2-methylpropylsulfonyl)piperidine (PubChem CID 140872502) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-methyl-4-(2-methylpropylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methyl-4-(2-methylpropylsulfonyl)piperidine
PubChem CID140872502
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-methyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCC(C)CS(=O)(=O)C1(C)CCNCC1
InChIInChI=1S/C10H21NO2S/c1-9(2)8-14(12,13)10(3)4-6-11-7-5-10/h9,11H,4-8H2,1-3H3
InChIKeyQHFQZQDVCOTKMX-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylpropylsulfonyl)piperidine?
The IUPAC name of 4-methyl-4-(2-methylpropylsulfonyl)piperidine (CID 140872502) is 4-methyl-4-(2-methylpropylsulfonyl)piperidine.
What is the SMILES notation for 4-methyl-4-(2-methylpropylsulfonyl)piperidine?
The canonical SMILES for 4-methyl-4-(2-methylpropylsulfonyl)piperidine is CC(C)CS(=O)(=O)C1(C)CCNCC1.
What is the InChIKey of 4-methyl-4-(2-methylpropylsulfonyl)piperidine?
The InChIKey is QHFQZQDVCOTKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)8-14(12,13)10(3)4-6-11-7-5-10/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-methyl-4-(2-methylpropylsulfonyl)piperidine?
4-methyl-4-(2-methylpropylsulfonyl)piperidine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylpropylsulfonyl)piperidine is sourced from PubChem (CID 140872502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).