2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine

C14H29NO2S — CID 106730047

IUPAC2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)S(=O)(=O)CCC1(CNC(C)(C)C)CCC1
InChIInChI=1S/C14H29NO2S/c1-12(2)18(16,17)10-9-14(7-6-8-14)11-15-13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyGUUOQUKAOYBBMM-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds6

About 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine

2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 106730047) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
PubChem CID106730047
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)S(=O)(=O)CCC1(CNC(C)(C)C)CCC1
InChIInChI=1S/C14H29NO2S/c1-12(2)18(16,17)10-9-14(7-6-8-14)11-15-13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyGUUOQUKAOYBBMM-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106729871
2-methoxy-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]ethanamine
CID 106730051
N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114125061
N-[[1-(2-ethylbutyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82930165
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
CID 65194168
N-[[1-(2-ethylhexyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65195011
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
CID 106730277
2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 106735498
[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106734053
2-methyl-N-[[3-(2-methylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine (CID 106730047) is 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine is CC(C)S(=O)(=O)CCC1(CNC(C)(C)C)CCC1.
What is the InChIKey of 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is GUUOQUKAOYBBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-12(2)18(16,17)10-9-14(7-6-8-14)11-15-13(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 275.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 106730047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).