(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride

C5H13ClN2OS — CID 139691176

IUPAC(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
SMILESCCNC(=O)[C@@H](N)CS.Cl
InChIInChI=1S/C5H12N2OS.ClH/c1-2-7-5(8)4(6)3-9;/h4,9H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyMYVODGVIZPDMEY-WCCKRBBISA-N
MW184.69 g/mol
LogP-0.20
Rot. Bonds3

About (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride

(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride (PubChem CID 139691176) has the molecular formula C5H13ClN2OS and a molecular weight of 184.69 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
PubChem CID139691176
Molecular FormulaC5H13ClN2OS
Molecular Weight184.69 g/mol
Exact Mass184.04
IUPAC Name(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
SMILESCCNC(=O)[C@@H](N)CS.Cl
InChIInChI=1S/C5H12N2OS.ClH/c1-2-7-5(8)4(6)3-9;/h4,9H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyMYVODGVIZPDMEY-WCCKRBBISA-N
XLogP-0.20
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-3-(methylamino)propanamide
CID 89258842
2-amino-N,N'-diethylpropanediamide
CID 88901749
(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride
CID 88724401
2-amino-N-ethyl-4-oxobutanamide
CID 143988292
2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
CID 175962096
16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
(2S)-2-amino-N-ethyl-5-oxopentanamide
CID 144523819
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride (CID 139691176) is (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride is CCNC(=O)[C@@H](N)CS.Cl.
What is the InChIKey of (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride?
The InChIKey is MYVODGVIZPDMEY-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2OS.ClH/c1-2-7-5(8)4(6)3-9;/h4,9H,2-3,6H2,1H3,(H,7,8);1H/t4-;/m0./s1.
What are the key properties of (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride?
(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride has a molecular weight of 184.69 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 139691176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).