2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide

C13H19NOS2 — CID 71994113

IUPAC2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
SMILESCSC(C)C(=O)NCC(C)Sc1ccccc1
InChIInChI=1S/C13H19NOS2/c1-10(9-14-13(15)11(2)16-3)17-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)
InChIKeyRLIWRMOZXXJFQN-UHFFFAOYSA-N
MW269.44 g/mol
LogP3.03
Rot. Bonds6

About 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide

2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide (PubChem CID 71994113) has the molecular formula C13H19NOS2 and a molecular weight of 269.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
PubChem CID71994113
Molecular FormulaC13H19NOS2
Molecular Weight269.44 g/mol
Exact Mass269.09
IUPAC Name2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
SMILESCSC(C)C(=O)NCC(C)Sc1ccccc1
InChIInChI=1S/C13H19NOS2/c1-10(9-14-13(15)11(2)16-3)17-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)
InChIKeyRLIWRMOZXXJFQN-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide 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

(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
CID 119335478
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
1-(4-hydroxy-2-methylpentyl)-3-(2-phenylsulfanylpropyl)urea
CID 111508843
4-amino-N-(2-phenylsulfanylpropyl)butanamide
CID 119335487
1-(3-hydroxypropyl)-3-(2-phenylsulfanylpropyl)urea
CID 111508832
2,2-dimethyl-N'-[(2S)-2-phenylsulfanylpropyl]propanediamide
CID 100665662
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
4-(2-phenylsulfanylpropylcarbamoylamino)butanoic acid
CID 122004197
2-(2-phenylsulfanylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 119186686
2-methyl-1-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111465730

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide?
The IUPAC name of 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide (CID 71994113) is 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide is CSC(C)C(=O)NCC(C)Sc1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide?
The InChIKey is RLIWRMOZXXJFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-10(9-14-13(15)11(2)16-3)17-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15).
What are the key properties of 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide?
2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide has a molecular weight of 269.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide is sourced from PubChem (CID 71994113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).