1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine

C11H23NO2S — CID 65194813

IUPAC1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
SMILESCCS(=O)(=O)CCCC1(CNC)CCC1
InChIInChI=1S/C11H23NO2S/c1-3-15(13,14)9-5-8-11(10-12-2)6-4-7-11/h12H,3-10H2,1-2H3
InChIKeyDKJQPJVAJDEYLY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds7

About 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine

1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine (PubChem CID 65194813) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
PubChem CID65194813
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
SMILESCCS(=O)(=O)CCCC1(CNC)CCC1
InChIInChI=1S/C11H23NO2S/c1-3-15(13,14)9-5-8-11(10-12-2)6-4-7-11/h12H,3-10H2,1-2H3
InChIKeyDKJQPJVAJDEYLY-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 62724580
N-[[1-(3-ethylsulfonylpropyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 65097230
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
N-methyl-1-[1-(4-methylpentyl)cyclobutyl]methanamine
CID 83168798
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474
3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 63195699

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine (CID 65194813) is 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine is CCS(=O)(=O)CCCC1(CNC)CCC1.
What is the InChIKey of 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is DKJQPJVAJDEYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-15(13,14)9-5-8-11(10-12-2)6-4-7-11/h12H,3-10H2,1-2H3.
What are the key properties of 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine?
1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 65194813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).