N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide

C13H25NOS2 — CID 167159778

IUPACN-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide
SMILESC=CCN(C)C(=O)CCSCCCSCCC
InChIInChI=1S/C13H25NOS2/c1-4-8-14(3)13(15)7-12-17-11-6-10-16-9-5-2/h4H,1,5-12H2,2-3H3
InChIKeyONPPPVKXDCBQIZ-UHFFFAOYSA-N
MW275.48 g/mol
LogP3.29
Rot. Bonds11

About N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide

N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide (PubChem CID 167159778) has the molecular formula C13H25NOS2 and a molecular weight of 275.48 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide
PubChem CID167159778
Molecular FormulaC13H25NOS2
Molecular Weight275.48 g/mol
Exact Mass275.14
IUPAC NameN-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide
SMILESC=CCN(C)C(=O)CCSCCCSCCC
InChIInChI=1S/C13H25NOS2/c1-4-8-14(3)13(15)7-12-17-11-6-10-16-9-5-2/h4H,1,5-12H2,2-3H3
InChIKeyONPPPVKXDCBQIZ-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide 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 N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide?
The IUPAC name of N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide (CID 167159778) is N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide.
What is the SMILES notation for N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide?
The canonical SMILES for N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide is C=CCN(C)C(=O)CCSCCCSCCC.
What is the InChIKey of N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide?
The InChIKey is ONPPPVKXDCBQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS2/c1-4-8-14(3)13(15)7-12-17-11-6-10-16-9-5-2/h4H,1,5-12H2,2-3H3.
What are the key properties of N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide?
N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide has a molecular weight of 275.48 g/mol, XLogP of 3.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyl-3-(3-propylsulfanylpropylsulfanyl)propanamide is sourced from PubChem (CID 167159778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).