4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine

C10H21NO2S — CID 58076203

IUPAC4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9(2)11-6-4-10(5-7-11)8-14(3,12)13/h9-10H,4-8H2,1-3H3
InChIKeyHHZCQXFAHDMMAN-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.15
Rot. Bonds3

About 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine

4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine (PubChem CID 58076203) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine
PubChem CID58076203
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9(2)11-6-4-10(5-7-11)8-14(3,12)13/h9-10H,4-8H2,1-3H3
InChIKeyHHZCQXFAHDMMAN-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine (CID 58076203) is 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine is CC(C)N1CCC(CS(C)(=O)=O)CC1.
What is the InChIKey of 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine?
The InChIKey is HHZCQXFAHDMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)11-6-4-10(5-7-11)8-14(3,12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine?
4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 58076203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).