1-methylsulfinyl-4-propan-2-ylpiperidine

C9H19NOS — CID 59741068

IUPAC1-methylsulfinyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(C)=O)CC1
InChIInChI=1S/C9H19NOS/c1-8(2)9-4-6-10(7-5-9)12(3)11/h8-9H,4-7H2,1-3H3
InChIKeyFMAZBJQYXFDCID-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.65
Rot. Bonds2

About 1-methylsulfinyl-4-propan-2-ylpiperidine

1-methylsulfinyl-4-propan-2-ylpiperidine (PubChem CID 59741068) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-methylsulfinyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfinyl-4-propan-2-ylpiperidine
PubChem CID59741068
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-methylsulfinyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(C)=O)CC1
InChIInChI=1S/C9H19NOS/c1-8(2)9-4-6-10(7-5-9)12(3)11/h8-9H,4-7H2,1-3H3
InChIKeyFMAZBJQYXFDCID-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-methylsulfinyl-4-propan-2-ylpiperidine (CID 59741068) is 1-methylsulfinyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-methylsulfinyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-methylsulfinyl-4-propan-2-ylpiperidine is CC(C)C1CCN(S(C)=O)CC1.
What is the InChIKey of 1-methylsulfinyl-4-propan-2-ylpiperidine?
The InChIKey is FMAZBJQYXFDCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)9-4-6-10(7-5-9)12(3)11/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methylsulfinyl-4-propan-2-ylpiperidine?
1-methylsulfinyl-4-propan-2-ylpiperidine has a molecular weight of 189.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 59741068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).