3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one

C9H18N2O3S — CID 64641740

IUPAC3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one
SMILESCC(CS(C)(=O)=O)N1CCCC(N)C1=O
InChIInChI=1S/C9H18N2O3S/c1-7(6-15(2,13)14)11-5-3-4-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3
InChIKeyVNAFPZKOYFMFMF-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.63
Rot. Bonds3

About 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one

3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one (PubChem CID 64641740) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one
PubChem CID64641740
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one
SMILESCC(CS(C)(=O)=O)N1CCCC(N)C1=O
InChIInChI=1S/C9H18N2O3S/c1-7(6-15(2,13)14)11-5-3-4-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3
InChIKeyVNAFPZKOYFMFMF-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one (CID 64641740) is 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one is CC(CS(C)(=O)=O)N1CCCC(N)C1=O.
What is the InChIKey of 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one?
The InChIKey is VNAFPZKOYFMFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-7(6-15(2,13)14)11-5-3-4-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one?
3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one has a molecular weight of 234.32 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylsulfonylpropan-2-yl)piperidin-2-one is sourced from PubChem (CID 64641740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).