1-methylsulfonyl-4-propylpiperidine

C9H19NO2S — CID 54239447

IUPAC1-methylsulfonyl-4-propylpiperidine
SMILESCCCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-3-4-9-5-7-10(8-6-9)13(2,11)12/h9H,3-8H2,1-2H3
InChIKeyQOYOCAQSNZVXCE-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds3

About 1-methylsulfonyl-4-propylpiperidine

1-methylsulfonyl-4-propylpiperidine (PubChem CID 54239447) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-methylsulfonyl-4-propylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-propylpiperidine
PubChem CID54239447
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-methylsulfonyl-4-propylpiperidine
SMILESCCCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-3-4-9-5-7-10(8-6-9)13(2,11)12/h9H,3-8H2,1-2H3
InChIKeyQOYOCAQSNZVXCE-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-propylpiperidine?
The IUPAC name of 1-methylsulfonyl-4-propylpiperidine (CID 54239447) is 1-methylsulfonyl-4-propylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-4-propylpiperidine?
The canonical SMILES for 1-methylsulfonyl-4-propylpiperidine is CCCC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-propylpiperidine?
The InChIKey is QOYOCAQSNZVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-4-9-5-7-10(8-6-9)13(2,11)12/h9H,3-8H2,1-2H3.
What are the key properties of 1-methylsulfonyl-4-propylpiperidine?
1-methylsulfonyl-4-propylpiperidine has a molecular weight of 205.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-propylpiperidine is sourced from PubChem (CID 54239447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).