2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one

C10H20N2OS — CID 76892351

IUPAC2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-10(2,3)8(11)9(13)12-4-6-14-7-5-12/h8H,4-7,11H2,1-3H3
InChIKeyFCZNGTLLENFWSY-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.94
Rot. Bonds1

About 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one

2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 76892351) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one
PubChem CID76892351
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)N1CCSCC1
InChIInChI=1S/C10H20N2OS/c1-10(2,3)8(11)9(13)12-4-6-14-7-5-12/h8H,4-7,11H2,1-3H3
InChIKeyFCZNGTLLENFWSY-UHFFFAOYSA-N
XLogP0.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one (CID 76892351) is 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one is CC(C)(C)C(N)C(=O)N1CCSCC1.
What is the InChIKey of 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is FCZNGTLLENFWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,3)8(11)9(13)12-4-6-14-7-5-12/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one?
2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 216.35 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 76892351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).