2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one

C11H22N2O3S — CID 24709913

IUPAC2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
SMILESCC1CCN(C(=O)C(N)CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-9-3-6-13(7-4-9)11(14)10(12)5-8-17(2,15)16/h9-10H,3-8,12H2,1-2H3
InChIKeyWANMOYVZLSFIEX-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.01
Rot. Bonds4

About 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one

2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one (PubChem CID 24709913) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
PubChem CID24709913
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
SMILESCC1CCN(C(=O)C(N)CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-9-3-6-13(7-4-9)11(14)10(12)5-8-17(2,15)16/h9-10H,3-8,12H2,1-2H3
InChIKeyWANMOYVZLSFIEX-UHFFFAOYSA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-cyclopentylpiperazin-1-yl)-4-methylsulfonylbutan-1-one
CID 62369792
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CID 43210676
2-amino-4-methylsulfonyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536852
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
2-amino-1-(4-butan-2-ylpiperazin-1-yl)-4-methylsulfonylbutan-1-one
CID 62777769
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methylsulfonylbutan-1-one
CID 81464234
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 103950960
2-amino-1-(3-ethoxypiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 54989954
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one?
The IUPAC name of 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one (CID 24709913) is 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one.
What is the SMILES notation for 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one?
The canonical SMILES for 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one is CC1CCN(C(=O)C(N)CCS(C)(=O)=O)CC1.
What is the InChIKey of 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one?
The InChIKey is WANMOYVZLSFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9-3-6-13(7-4-9)11(14)10(12)5-8-17(2,15)16/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one?
2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one has a molecular weight of 262.37 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one is sourced from PubChem (CID 24709913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).