1-butan-2-yl-4-methylsulfonylpiperidine

C10H21NO2S — CID 121183044

IUPAC1-butan-2-yl-4-methylsulfonylpiperidine
SMILESCCC(C)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-4-9(2)11-7-5-10(6-8-11)14(3,12)13/h9-10H,4-8H2,1-3H3
InChIKeyQPBUVNCEMAEFMV-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.29
Rot. Bonds3

About 1-butan-2-yl-4-methylsulfonylpiperidine

1-butan-2-yl-4-methylsulfonylpiperidine (PubChem CID 121183044) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-butan-2-yl-4-methylsulfonylpiperidine
PubChem CID121183044
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-butan-2-yl-4-methylsulfonylpiperidine
SMILESCCC(C)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21NO2S/c1-4-9(2)11-7-5-10(6-8-11)14(3,12)13/h9-10H,4-8H2,1-3H3
InChIKeyQPBUVNCEMAEFMV-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-methylsulfonylpiperidine?
The IUPAC name of 1-butan-2-yl-4-methylsulfonylpiperidine (CID 121183044) is 1-butan-2-yl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-butan-2-yl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-butan-2-yl-4-methylsulfonylpiperidine is CCC(C)N1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 1-butan-2-yl-4-methylsulfonylpiperidine?
The InChIKey is QPBUVNCEMAEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-9(2)11-7-5-10(6-8-11)14(3,12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-methylsulfonylpiperidine?
1-butan-2-yl-4-methylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-methylsulfonylpiperidine is sourced from PubChem (CID 121183044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).