2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide

C6H14N2O2S — CID 154577108

IUPAC2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCC(N)C(=O)NCCO
InChIInChI=1S/C6H14N2O2S/c1-11-4-5(7)6(10)8-2-3-9/h5,9H,2-4,7H2,1H3,(H,8,10)
InChIKeyVPJOOVOZGNUNNW-UHFFFAOYSA-N
MW178.26 g/mol
LogP-1.21
Rot. Bonds5

About 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide

2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (PubChem CID 154577108) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
PubChem CID154577108
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCC(N)C(=O)NCCO
InChIInChI=1S/C6H14N2O2S/c1-11-4-5(7)6(10)8-2-3-9/h5,9H,2-4,7H2,1H3,(H,8,10)
InChIKeyVPJOOVOZGNUNNW-UHFFFAOYSA-N
XLogP-1.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Methionylglycine
CID 6992930
Methionylglycine
CID 259185
H-Cys(1)-Gly-ol.H-Cys(1)-Gly-ol
CID 76684250
2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid
CID 36688470
Me-Cys(1)-Gly-ol.Me-Cys(1)-Gly-ol
CID 76684344
Entadamide B
CID 3035981
(2S)-2-amino-N-(2-hydroxyethyl)propanamide
CID 54557008
2-(2-Amino-3-(methylsulfanyl)propanamido)propanoic acid hydrochloride
CID 146049669
2-amino-N-(2-hydroxyethyl)-3-(methylsulfanyl)propanamide hydrochloride
CID 154577107
2-amino-N-(3-hydroxypropyl)-3-(methylsulfanyl)propanamide hydrochloride
CID 154577109
2-amino-N-(2-hydroxyethyl)-N-methyl-3-(methylsulfanyl)propanamide hydrochloride
CID 165769201
2-amino-N-(3-hydroxypropyl)-N-methyl-3-(methylsulfanyl)propanamide hydrochloride
CID 165771304

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (CID 154577108) is 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is CSCC(N)C(=O)NCCO.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is VPJOOVOZGNUNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-11-4-5(7)6(10)8-2-3-9/h5,9H,2-4,7H2,1H3,(H,8,10).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 178.26 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 154577108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).