(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride

C9H20ClN3O3S2 — CID 119319777

IUPAC(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCCS(=O)(=O)N1CCSCC1.Cl
InChIInChI=1S/C9H19N3O3S2.ClH/c1-8(10)9(13)11-2-7-17(14,15)12-3-5-16-6-4-12;/h8H,2-7,10H2,1H3,(H,11,13);1H/t8-;/m1./s1
InChIKeyFDBHSVQTLTYAMM-DDWIOCJRSA-N
MW317.86 g/mol
LogP-0.75
Rot. Bonds5

About (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride

(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride (PubChem CID 119319777) has the molecular formula C9H20ClN3O3S2 and a molecular weight of 317.86 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
PubChem CID119319777
Molecular FormulaC9H20ClN3O3S2
Molecular Weight317.86 g/mol
Exact Mass317.06
IUPAC Name(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCCS(=O)(=O)N1CCSCC1.Cl
InChIInChI=1S/C9H19N3O3S2.ClH/c1-8(10)9(13)11-2-7-17(14,15)12-3-5-16-6-4-12;/h8H,2-7,10H2,1H3,(H,11,13);1H/t8-;/m1./s1
InChIKeyFDBHSVQTLTYAMM-DDWIOCJRSA-N
XLogP-0.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
CID 120792418
1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide
CID 119319776
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
1-ethyl-2-(2-methylpropyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833200
3-(2-aminophenyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
CID 120610539
N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782887
2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 119777069
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide
CID 129342245
2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782902
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111833647
2-pyrrolidin-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
CID 119777081
1-(cyclobutylmethyl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155535

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride (CID 119319777) is (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride is C[C@@H](N)C(=O)NCCS(=O)(=O)N1CCSCC1.Cl.
What is the InChIKey of (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride?
The InChIKey is FDBHSVQTLTYAMM-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H19N3O3S2.ClH/c1-8(10)9(13)11-2-7-17(14,15)12-3-5-16-6-4-12;/h8H,2-7,10H2,1H3,(H,11,13);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride?
(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119319777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).