1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine

C11H22N2S — CID 79843613

IUPAC1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine
SMILESCC1CSCCN1CCC1(N)CCC1
InChIInChI=1S/C11H22N2S/c1-10-9-14-8-7-13(10)6-5-11(12)3-2-4-11/h10H,2-9,12H2,1H3
InChIKeyCBQARGIXJKAAJL-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine

1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 79843613) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine
PubChem CID79843613
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine
SMILESCC1CSCCN1CCC1(N)CCC1
InChIInChI=1S/C11H22N2S/c1-10-9-14-8-7-13(10)6-5-11(12)3-2-4-11/h10H,2-9,12H2,1H3
InChIKeyCBQARGIXJKAAJL-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine (CID 79843613) is 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine is CC1CSCCN1CCC1(N)CCC1.
What is the InChIKey of 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is CBQARGIXJKAAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10-9-14-8-7-13(10)6-5-11(12)3-2-4-11/h10H,2-9,12H2,1H3.
What are the key properties of 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine?
1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylthiomorpholin-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79843613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).