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

C10H20N2S — CID 81170046

IUPAC1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
SMILESCC1CSCCN1CC1(N)CCC1
InChIInChI=1S/C10H20N2S/c1-9-7-13-6-5-12(9)8-10(11)3-2-4-10/h9H,2-8,11H2,1H3
InChIKeyFIGBSWFURTYDOH-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.31
Rot. Bonds2

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

1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine (PubChem CID 81170046) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
PubChem CID81170046
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine
SMILESCC1CSCCN1CC1(N)CCC1
InChIInChI=1S/C10H20N2S/c1-9-7-13-6-5-12(9)8-10(11)3-2-4-10/h9H,2-8,11H2,1H3
InChIKeyFIGBSWFURTYDOH-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine (CID 81170046) is 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine is CC1CSCCN1CC1(N)CCC1.
What is the InChIKey of 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is FIGBSWFURTYDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9-7-13-6-5-12(9)8-10(11)3-2-4-10/h9H,2-8,11H2,1H3.
What are the key properties of 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine?
1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiomorpholin-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81170046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).