1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one

C11H21NO3S — CID 116600352

IUPAC1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one
SMILESCCS(=O)(=O)CCCC(=O)C1(CN)CCC1
InChIInChI=1S/C11H21NO3S/c1-2-16(14,15)8-3-5-10(13)11(9-12)6-4-7-11/h2-9,12H2,1H3
InChIKeyZTOLEDLVDODRCZ-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.90
Rot. Bonds7

About 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one

1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one (PubChem CID 116600352) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one
PubChem CID116600352
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one
SMILESCCS(=O)(=O)CCCC(=O)C1(CN)CCC1
InChIInChI=1S/C11H21NO3S/c1-2-16(14,15)8-3-5-10(13)11(9-12)6-4-7-11/h2-9,12H2,1H3
InChIKeyZTOLEDLVDODRCZ-UHFFFAOYSA-N
XLogP0.90
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminomethyl)-1-propan-2-ylsulfonylheptan-3-one
CID 106736456
4-(Aminomethyl)-1-ethylsulfonylheptan-3-one
CID 106736457
4-(Aminomethyl)-1-tert-butylsulfonylheptan-3-one
CID 106736458
4-(Aminomethyl)-1-propylsulfonylheptan-3-one
CID 106736459
8-Amino-6,6-dimethyl-1-propan-2-ylsulfonyloctan-3-one
CID 106736460
8-Amino-1-ethylsulfonyl-6,6-dimethyloctan-3-one
CID 106736461
8-Amino-1-tert-butylsulfonyl-6,6-dimethyloctan-3-one
CID 106736462
8-Amino-6,6-dimethyl-1-propylsulfonyloctan-3-one
CID 106736463
4-(Aminomethyl)-1-propan-2-ylsulfonylhexan-3-one
CID 106736464
4-(Aminomethyl)-1-ethylsulfonylhexan-3-one
CID 106736465
4-(Aminomethyl)-1-tert-butylsulfonylhexan-3-one
CID 106736466
4-(Aminomethyl)-1-propylsulfonylhexan-3-one
CID 106736467

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one (CID 116600352) is 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one is CCS(=O)(=O)CCCC(=O)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one?
The InChIKey is ZTOLEDLVDODRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-2-16(14,15)8-3-5-10(13)11(9-12)6-4-7-11/h2-9,12H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one?
1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one has a molecular weight of 247.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one is sourced from PubChem (CID 116600352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).