2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine

C14H28N2O2S2 — CID 81004535

IUPAC2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S2/c1-11(2)8-15-9-12-4-5-13(12)16-6-7-19-10-14(16)20(3,17)18/h11-15H,4-10H2,1-3H3
InChIKeyFBXGEAQMMPCIFI-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.43
Rot. Bonds6

About 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 81004535) has the molecular formula C14H28N2O2S2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID81004535
Molecular FormulaC14H28N2O2S2
Molecular Weight320.52 g/mol
Exact Mass320.16
IUPAC Name2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S2/c1-11(2)8-15-9-12-4-5-13(12)16-6-7-19-10-14(16)20(3,17)18/h11-15H,4-10H2,1-3H3
InChIKeyFBXGEAQMMPCIFI-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]ethanamine
CID 81004886
[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine
CID 81004713
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81005411
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine
CID 81005062
trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734831
2-(3-methylsulfonylthiomorpholin-4-yl)cyclohexane-1-carbonitrile
CID 66381997
2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106962739
N-[3-(3-ethylsulfonylthiomorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 66375791
N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine
CID 81005831
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80999851
N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80998209
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66375986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine (CID 81004535) is 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine is CC(C)CNCC1CCC1N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is FBXGEAQMMPCIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S2/c1-11(2)8-15-9-12-4-5-13(12)16-6-7-19-10-14(16)20(3,17)18/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 320.52 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81004535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).