(2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide

C7H16N2OS — CID 87733832

IUPAC(2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide
SMILESCCN(CC)C(=O)[C@@H](N)CS
InChIInChI=1S/C7H16N2OS/c1-3-9(4-2)7(10)6(8)5-11/h6,11H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyKREDMOLDFZJUFK-LURJTMIESA-N
MW176.28 g/mol
LogP0.11
Rot. Bonds4

About (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide

(2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide (PubChem CID 87733832) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide
PubChem CID87733832
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name(2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide
SMILESCCN(CC)C(=O)[C@@H](N)CS
InChIInChI=1S/C7H16N2OS/c1-3-9(4-2)7(10)6(8)5-11/h6,11H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyKREDMOLDFZJUFK-LURJTMIESA-N
XLogP0.11
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide (CID 87733832) is (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide is CCN(CC)C(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide?
The InChIKey is KREDMOLDFZJUFK-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-9(4-2)7(10)6(8)5-11/h6,11H,3-5,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide?
(2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide has a molecular weight of 176.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-diethyl-3-sulfanylpropanamide is sourced from PubChem (CID 87733832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).