1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine

C10H20N2S — CID 79842941

IUPAC1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine
SMILESNC1(CCN2CCSCC2)CCC1
InChIInChI=1S/C10H20N2S/c11-10(2-1-3-10)4-5-12-6-8-13-9-7-12/h1-9,11H2
InChIKeyJTLYGLVSGWITIK-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.31
Rot. Bonds3

About 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine

1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine (PubChem CID 79842941) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine
PubChem CID79842941
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine
SMILESNC1(CCN2CCSCC2)CCC1
InChIInChI=1S/C10H20N2S/c11-10(2-1-3-10)4-5-12-6-8-13-9-7-12/h1-9,11H2
InChIKeyJTLYGLVSGWITIK-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine?
The IUPAC name of 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine (CID 79842941) is 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine is NC1(CCN2CCSCC2)CCC1.
What is the InChIKey of 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine?
The InChIKey is JTLYGLVSGWITIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c11-10(2-1-3-10)4-5-12-6-8-13-9-7-12/h1-9,11H2.
What are the key properties of 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine?
1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 79842941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).