4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine

C10H21NO2S — CID 58394577

IUPAC4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)C1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9(2)10(3)5-7-11(8-6-10)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyNBQLAMWJPXWTNO-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.70
Rot. Bonds2

About 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine

4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine (PubChem CID 58394577) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
PubChem CID58394577
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)C1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9(2)10(3)5-7-11(8-6-10)14(4,12)13/h9H,5-8H2,1-4H3
InChIKeyNBQLAMWJPXWTNO-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine (CID 58394577) is 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine is CC(C)C1(C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine?
The InChIKey is NBQLAMWJPXWTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)10(3)5-7-11(8-6-10)14(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine?
4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 58394577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).