(2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide

C14H23N3OS2 — CID 163206284

IUPAC(2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide
SMILESCN[C@@H](CS)C(=O)NC(CS)[C@H](NC)c1ccccc1
InChIInChI=1S/C14H23N3OS2/c1-15-12(9-20)14(18)17-11(8-19)13(16-2)10-6-4-3-5-7-10/h3-7,11-13,15-16,19-20H,8-9H2,1-2H3,(H,17,18)/t11?,12-,13+/m0/s1
InChIKeyTZWTZZIKXHGBDD-LWNNLKQOSA-N
MW313.49 g/mol
LogP0.88
Rot. Bonds8

About (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide

(2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide (PubChem CID 163206284) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide
PubChem CID163206284
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name(2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide
SMILESCN[C@@H](CS)C(=O)NC(CS)[C@H](NC)c1ccccc1
InChIInChI=1S/C14H23N3OS2/c1-15-12(9-20)14(18)17-11(8-19)13(16-2)10-6-4-3-5-7-10/h3-7,11-13,15-16,19-20H,8-9H2,1-2H3,(H,17,18)/t11?,12-,13+/m0/s1
InChIKeyTZWTZZIKXHGBDD-LWNNLKQOSA-N
XLogP0.88
TPSA53.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 50.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-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-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide (CID 163206284) is (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide is CN[C@@H](CS)C(=O)NC(CS)[C@H](NC)c1ccccc1.
What is the InChIKey of (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide?
The InChIKey is TZWTZZIKXHGBDD-LWNNLKQOSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-15-12(9-20)14(18)17-11(8-19)13(16-2)10-6-4-3-5-7-10/h3-7,11-13,15-16,19-20H,8-9H2,1-2H3,(H,17,18)/t11?,12-,13+/m0/s1.
What are the key properties of (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide?
(2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide has a molecular weight of 313.49 g/mol, XLogP of 0.88, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-N-[(1R)-1-(methylamino)-1-phenyl-3-sulfanylpropan-2-yl]-3-sulfanylpropanamide is sourced from PubChem (CID 163206284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).