4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride

C10H21ClN2OS — CID 119328228

IUPAC4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride
SMILESCC1(C)CN(C(=O)CCCN)CCS1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-10(2)8-12(6-7-14-10)9(13)4-3-5-11;/h3-8,11H2,1-2H3;1H
InChIKeyZXIOJEXKGLJVQF-UHFFFAOYSA-N
MW252.81 g/mol
LogP1.50
Rot. Bonds3

About 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride

4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride (PubChem CID 119328228) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride
PubChem CID119328228
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC Name4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride
SMILESCC1(C)CN(C(=O)CCCN)CCS1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-10(2)8-12(6-7-14-10)9(13)4-3-5-11;/h3-8,11H2,1-2H3;1H
InChIKeyZXIOJEXKGLJVQF-UHFFFAOYSA-N
XLogP1.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride (CID 119328228) is 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride is CC1(C)CN(C(=O)CCCN)CCS1.Cl.
What is the InChIKey of 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride?
The InChIKey is ZXIOJEXKGLJVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-10(2)8-12(6-7-14-10)9(13)4-3-5-11;/h3-8,11H2,1-2H3;1H.
What are the key properties of 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride?
4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119328228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).