1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one

C9H17NOS — CID 19936627

IUPAC1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one
SMILESCC(=O)CSC1CCN(C)CC1
InChIInChI=1S/C9H17NOS/c1-8(11)7-12-9-3-5-10(2)6-4-9/h9H,3-7H2,1-2H3
InChIKeyWDKFWNIJDLKFDA-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.40
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one

1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one (PubChem CID 19936627) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one
PubChem CID19936627
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one
SMILESCC(=O)CSC1CCN(C)CC1
InChIInChI=1S/C9H17NOS/c1-8(11)7-12-9-3-5-10(2)6-4-9/h9H,3-7H2,1-2H3
InChIKeyWDKFWNIJDLKFDA-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one?
The IUPAC name of 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one (CID 19936627) is 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one is CC(=O)CSC1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one?
The InChIKey is WDKFWNIJDLKFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-8(11)7-12-9-3-5-10(2)6-4-9/h9H,3-7H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one?
1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one has a molecular weight of 187.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)sulfanylpropan-2-one is sourced from PubChem (CID 19936627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).