(2R)-2-(methylamino)propanethioic S-acid

C4H9NOS — CID 141057590

IUPAC(2R)-2-(methylamino)propanethioic S-acid
SMILESCN[C@H](C)C(=O)S
InChIInChI=1S/C4H9NOS/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1
InChIKeyIWZUMAVWVOFJJO-GSVOUGTGSA-N
MW119.19 g/mol
LogP0.05
Rot. Bonds2

About (2R)-2-(methylamino)propanethioic S-acid

(2R)-2-(methylamino)propanethioic S-acid (PubChem CID 141057590) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is (2R)-2-(methylamino)propanethioic S-acid.

Molecular Properties

Compound Name(2R)-2-(methylamino)propanethioic S-acid
PubChem CID141057590
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name(2R)-2-(methylamino)propanethioic S-acid
SMILESCN[C@H](C)C(=O)S
InChIInChI=1S/C4H9NOS/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1
InChIKeyIWZUMAVWVOFJJO-GSVOUGTGSA-N
XLogP0.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-(methylamino)propanethioic S-acid 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

Methylthio-cysteine
CID 57639061
Methyl-seleno-l-cysteine
CID 87595123
Methylthioalanine
CID 87665391
(2R)-2-(ethylamino)-3-sulfanylpropanoyl fluoride
CID 89131706
2-(Ethylamino)-3-sulfanylpropanoyl fluoride
CID 89131707
(2R)-2-(methylamino)-3-sulfanylpropanal
CID 657114
(2S)-2-(methylamino)-3-sulfanylpropanal
CID 18395618
2-(Methylamino)-3-sulfanylpropanal
CID 19602405
2-aminobutanethioic S-acid
CID 20456869
3-(Methylamino)-4-sulfanylbutan-2-one
CID 22981497
(2S)-2-(methylamino)-3-sulfanylpropanethioate
CID 57639060
2-(Methylamino)-3-sulfanylpropan-1-one;yttrium
CID 58435728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)propanethioic S-acid?
The IUPAC name of (2R)-2-(methylamino)propanethioic S-acid (CID 141057590) is (2R)-2-(methylamino)propanethioic S-acid.
What is the SMILES notation for (2R)-2-(methylamino)propanethioic S-acid?
The canonical SMILES for (2R)-2-(methylamino)propanethioic S-acid is CN[C@H](C)C(=O)S.
What is the InChIKey of (2R)-2-(methylamino)propanethioic S-acid?
The InChIKey is IWZUMAVWVOFJJO-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H9NOS/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (2R)-2-(methylamino)propanethioic S-acid?
(2R)-2-(methylamino)propanethioic S-acid has a molecular weight of 119.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)propanethioic S-acid is sourced from PubChem (CID 141057590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).