(3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one

C14H27NO3S — CID 155658962

IUPAC(3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one
SMILESCC(C)C(CS(=O)(=O)C(C)C)N1CCC[C@H](C)C1=O
InChIInChI=1S/C14H27NO3S/c1-10(2)13(9-19(17,18)11(3)4)15-8-6-7-12(5)14(15)16/h10-13H,6-9H2,1-5H3/t12-,13?/m0/s1
InChIKeyLJNKWWCNQSEHMX-UEWDXFNNSA-N
MW289.44 g/mol
LogP2.09
Rot. Bonds5

About (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one

(3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one (PubChem CID 155658962) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one
PubChem CID155658962
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name(3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one
SMILESCC(C)C(CS(=O)(=O)C(C)C)N1CCC[C@H](C)C1=O
InChIInChI=1S/C14H27NO3S/c1-10(2)13(9-19(17,18)11(3)4)15-8-6-7-12(5)14(15)16/h10-13H,6-9H2,1-5H3/t12-,13?/m0/s1
InChIKeyLJNKWWCNQSEHMX-UEWDXFNNSA-N
XLogP2.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one?
The IUPAC name of (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one (CID 155658962) is (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one.
What is the SMILES notation for (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one?
The canonical SMILES for (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one is CC(C)C(CS(=O)(=O)C(C)C)N1CCC[C@H](C)C1=O.
What is the InChIKey of (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one?
The InChIKey is LJNKWWCNQSEHMX-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-10(2)13(9-19(17,18)11(3)4)15-8-6-7-12(5)14(15)16/h10-13H,6-9H2,1-5H3/t12-,13?/m0/s1.
What are the key properties of (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one?
(3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one has a molecular weight of 289.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(3-methyl-1-propan-2-ylsulfonylbutan-2-yl)piperidin-2-one is sourced from PubChem (CID 155658962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).