(2S)-2-(diethylamino)propanethioic S-acid

C7H15NOS — CID 129068089

IUPAC(2S)-2-(diethylamino)propanethioic S-acid
SMILESCCN(CC)[C@@H](C)C(=O)S
InChIInChI=1S/C7H15NOS/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyAHAJTZOZIIYFOU-LURJTMIESA-N
MW161.27 g/mol
LogP1.17
Rot. Bonds4

About (2S)-2-(diethylamino)propanethioic S-acid

(2S)-2-(diethylamino)propanethioic S-acid (PubChem CID 129068089) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (2S)-2-(diethylamino)propanethioic S-acid.

Molecular Properties

Compound Name(2S)-2-(diethylamino)propanethioic S-acid
PubChem CID129068089
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(2S)-2-(diethylamino)propanethioic S-acid
SMILESCCN(CC)[C@@H](C)C(=O)S
InChIInChI=1S/C7H15NOS/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyAHAJTZOZIIYFOU-LURJTMIESA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(diethylamino)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

(2S)-2-(diethylamino)propanoic acid
CID 18664197
2-(diethylamino)propanoyl fluoride;hydrofluoride
CID 88650459
(2R)-2-(diethylamino)-4-methylhexan-3-one
CID 130410399
3-(diethylamino)-2-methylidenebutanoic acid
CID 87069221
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
[ethyl(propan-2-yl)amino]methyl-propylcarbamothioic S-acid
CID 166843009
2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride
CID 3069966
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3031109
N-[1-(diethylamino)ethyl]-N-methylacetamide
CID 141054197

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)propanethioic S-acid?
The IUPAC name of (2S)-2-(diethylamino)propanethioic S-acid (CID 129068089) is (2S)-2-(diethylamino)propanethioic S-acid.
What is the SMILES notation for (2S)-2-(diethylamino)propanethioic S-acid?
The canonical SMILES for (2S)-2-(diethylamino)propanethioic S-acid is CCN(CC)[C@@H](C)C(=O)S.
What is the InChIKey of (2S)-2-(diethylamino)propanethioic S-acid?
The InChIKey is AHAJTZOZIIYFOU-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NOS/c1-4-8(5-2)6(3)7(9)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-(diethylamino)propanethioic S-acid?
(2S)-2-(diethylamino)propanethioic S-acid has a molecular weight of 161.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)propanethioic S-acid is sourced from PubChem (CID 129068089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).