N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine

C11H22N2S — CID 81005831

IUPACN-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine
SMILESCNCC1CCC1N1CCSCC1C
InChIInChI=1S/C11H22N2S/c1-9-8-14-6-5-13(9)11-4-3-10(11)7-12-2/h9-12H,3-8H2,1-2H3
InChIKeyMMTIICDWUXSAFR-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds3

About N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine

N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine (PubChem CID 81005831) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine
PubChem CID81005831
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine
SMILESCNCC1CCC1N1CCSCC1C
InChIInChI=1S/C11H22N2S/c1-9-8-14-6-5-13(9)11-4-3-10(11)7-12-2/h9-12H,3-8H2,1-2H3
InChIKeyMMTIICDWUXSAFR-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine (CID 81005831) is N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine is CNCC1CCC1N1CCSCC1C.
What is the InChIKey of N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine?
The InChIKey is MMTIICDWUXSAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-8-14-6-5-13(9)11-4-3-10(11)7-12-2/h9-12H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine?
N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylthiomorpholin-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 81005831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).