2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride

C9H19ClN2OS — CID 119342682

IUPAC2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride
SMILESCC(C)C1CN(C(=O)CN)CCS1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-7(2)8-6-11(3-4-13-8)9(12)5-10;/h7-8H,3-6,10H2,1-2H3;1H
InChIKeyLWPIGOSQBKYWIW-UHFFFAOYSA-N
MW238.78 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride

2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride (PubChem CID 119342682) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride
PubChem CID119342682
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride
SMILESCC(C)C1CN(C(=O)CN)CCS1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-7(2)8-6-11(3-4-13-8)9(12)5-10;/h7-8H,3-6,10H2,1-2H3;1H
InChIKeyLWPIGOSQBKYWIW-UHFFFAOYSA-N
XLogP0.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 119952419
N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide
CID 124607970
2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 120594140
morpholin-2-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone;hydrochloride
CID 119817077
3-amino-1-(2-methylthiomorpholin-4-yl)butan-1-one
CID 115739172
4-[(2S)-2-propan-2-ylthiomorpholin-4-yl]butanoic acid
CID 124607987
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
(2S)-2,4-di(propan-2-yl)thiomorpholine
CID 170688101
3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
CID 115734525
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
CID 84755438
2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
CID 84755275
N,N-dimethyl-2-[[(2-propan-2-ylthiomorpholin-4-yl)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110044556

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride (CID 119342682) is 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride is CC(C)C1CN(C(=O)CN)CCS1.Cl.
What is the InChIKey of 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride?
The InChIKey is LWPIGOSQBKYWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-7(2)8-6-11(3-4-13-8)9(12)5-10;/h7-8H,3-6,10H2,1-2H3;1H.
What are the key properties of 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride?
2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propan-2-ylthiomorpholin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119342682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).