2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride

C7H15ClN2OS — CID 50988106

IUPAC2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C7H14N2OS.ClH/c1-6(8)7(10)9-2-4-11-5-3-9;/h6H,2-5,8H2,1H3;1H
InChIKeyIXTWDQIRKQOTPQ-UHFFFAOYSA-N
MW210.73 g/mol
LogP0.33
Rot. Bonds1

About 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride

2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 50988106) has the molecular formula C7H15ClN2OS and a molecular weight of 210.73 g/mol. Its IUPAC name is 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
PubChem CID50988106
Molecular FormulaC7H15ClN2OS
Molecular Weight210.73 g/mol
Exact Mass210.06
IUPAC Name2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C7H14N2OS.ClH/c1-6(8)7(10)9-2-4-11-5-3-9;/h6H,2-5,8H2,1H3;1H
InChIKeyIXTWDQIRKQOTPQ-UHFFFAOYSA-N
XLogP0.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 59007232
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-methyl-3-oxo-3-thiomorpholin-4-ylpropanal
CID 57119133
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride (CID 50988106) is 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride is CC(N)C(=O)N1CCSCC1.Cl.
What is the InChIKey of 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is IXTWDQIRKQOTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS.ClH/c1-6(8)7(10)9-2-4-11-5-3-9;/h6H,2-5,8H2,1H3;1H.
What are the key properties of 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 210.73 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 50988106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).