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

C12H24N2O3S — CID 64641741

IUPAC1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-4-7-13-11-6-5-8-14(12(11)15)10(2)9-18(3,16)17/h10-11,13H,4-9H2,1-3H3
InChIKeyOFSJYJGCPRTLAO-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.41
Rot. Bonds6

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

1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one (PubChem CID 64641741) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
PubChem CID64641741
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C12H24N2O3S/c1-4-7-13-11-6-5-8-14(12(11)15)10(2)9-18(3,16)17/h10-11,13H,4-9H2,1-3H3
InChIKeyOFSJYJGCPRTLAO-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one (CID 64641741) is 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one?
The InChIKey is OFSJYJGCPRTLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-7-13-11-6-5-8-14(12(11)15)10(2)9-18(3,16)17/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one?
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one has a molecular weight of 276.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 64641741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).