2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone

C11H22N2O3S — CID 81195027

IUPAC2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
SMILESCC(CCN)S(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-10(5-6-12)17(15,16)9-11(14)13-7-3-2-4-8-13/h10H,2-9,12H2,1H3
InChIKeyQSOFANUJTPUCMJ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.15
Rot. Bonds5

About 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone

2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone (PubChem CID 81195027) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
PubChem CID81195027
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
SMILESCC(CCN)S(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-10(5-6-12)17(15,16)9-11(14)13-7-3-2-4-8-13/h10H,2-9,12H2,1H3
InChIKeyQSOFANUJTPUCMJ-UHFFFAOYSA-N
XLogP0.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one
CID 114236346
4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid
CID 114236357
2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236172
methyl 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoate
CID 114235836
2-(5-aminohexylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236177
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 114236176
2,4-diamino-1-piperidin-1-ylbutan-1-one
CID 24906298
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
4-amino-2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 80543621
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone (CID 81195027) is 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone is CC(CCN)S(=O)(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone?
The InChIKey is QSOFANUJTPUCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(5-6-12)17(15,16)9-11(14)13-7-3-2-4-8-13/h10H,2-9,12H2,1H3.
What are the key properties of 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone?
2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone has a molecular weight of 262.37 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 81195027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).