(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide

C14H20N2OS2 — CID 103797022

IUPAC(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1CSCCS1
InChIInChI=1S/C14H20N2OS2/c15-13(8-11-4-2-1-3-5-11)14(17)16-9-12-10-18-6-7-19-12/h1-5,12-13H,6-10,15H2,(H,16,17)/t12?,13-/m0/s1
InChIKeyVUOBSTCDEGKXKM-ABLWVSNPSA-N
MW296.46 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide

(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide (PubChem CID 103797022) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide
PubChem CID103797022
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1CSCCS1
InChIInChI=1S/C14H20N2OS2/c15-13(8-11-4-2-1-3-5-11)14(17)16-9-12-10-18-6-7-19-12/h1-5,12-13H,6-10,15H2,(H,16,17)/t12?,13-/m0/s1
InChIKeyVUOBSTCDEGKXKM-ABLWVSNPSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide 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-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119326352
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 119957436
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
CID 104866324
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
CID 119326363
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240
(2S)-2-amino-4-phenyl-N-(thian-2-ylmethyl)butanamide
CID 104984623
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
CID 103833140
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
3-phenyl-2-sulfanyl-N-(thiolan-2-ylmethyl)propanamide
CID 107032830
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide (CID 103797022) is (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCC1CSCCS1.
What is the InChIKey of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is VUOBSTCDEGKXKM-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H20N2OS2/c15-13(8-11-4-2-1-3-5-11)14(17)16-9-12-10-18-6-7-19-12/h1-5,12-13H,6-10,15H2,(H,16,17)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide?
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 296.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 103797022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).