2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one

C10H20N2OS — CID 43210682

IUPAC2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3
InChIKeyGXAMSSGCAIVQME-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.94
Rot. Bonds3

About 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one

2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 43210682) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
PubChem CID43210682
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3
InChIKeyGXAMSSGCAIVQME-UHFFFAOYSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one?
The IUPAC name of 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one (CID 43210682) is 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one is CCC(C)C(N)C(=O)N1CCSCC1.
What is the InChIKey of 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one?
The InChIKey is GXAMSSGCAIVQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-8(2)9(11)10(13)12-4-6-14-7-5-12/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one?
2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one has a molecular weight of 216.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 43210682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).