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

C10H21NO2S — CID 58394575

IUPAC3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(C)(=O)=O)CC1C
InChIInChI=1S/C10H21NO2S/c1-8(2)10-5-6-11(7-9(10)3)14(4,12)13/h8-10H,5-7H2,1-4H3
InChIKeyOKEQSYUGBBHDCR-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.56
Rot. Bonds2

About 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine

3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine (PubChem CID 58394575) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
PubChem CID58394575
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(C)(=O)=O)CC1C
InChIInChI=1S/C10H21NO2S/c1-8(2)10-5-6-11(7-9(10)3)14(4,12)13/h8-10H,5-7H2,1-4H3
InChIKeyOKEQSYUGBBHDCR-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine (CID 58394575) is 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine is CC(C)C1CCN(S(C)(=O)=O)CC1C.
What is the InChIKey of 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine?
The InChIKey is OKEQSYUGBBHDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)10-5-6-11(7-9(10)3)14(4,12)13/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine?
3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 58394575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).