N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane

C16H36N2O2S — CID 143085255

IUPACN-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane
SMILESCC.COCCCSCCCCCC(=O)NCCN(C)C
InChIInChI=1S/C14H30N2O2S.C2H6/c1-16(2)10-9-15-14(17)8-5-4-6-12-19-13-7-11-18-3;1-2/h4-13H2,1-3H3,(H,15,17);1-2H3
InChIKeyFXXDWOSBYYCUFI-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.02
Rot. Bonds13

About N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane

N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane (PubChem CID 143085255) has the molecular formula C16H36N2O2S and a molecular weight of 320.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane
PubChem CID143085255
Molecular FormulaC16H36N2O2S
Molecular Weight320.54 g/mol
Exact Mass320.25
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane
SMILESCC.COCCCSCCCCCC(=O)NCCN(C)C
InChIInChI=1S/C14H30N2O2S.C2H6/c1-16(2)10-9-15-14(17)8-5-4-6-12-19-13-7-11-18-3;1-2/h4-13H2,1-3H3,(H,15,17);1-2H3
InChIKeyFXXDWOSBYYCUFI-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane 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-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane (CID 143085255) is N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane is CC.COCCCSCCCCCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane?
The InChIKey is FXXDWOSBYYCUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S.C2H6/c1-16(2)10-9-15-14(17)8-5-4-6-12-19-13-7-11-18-3;1-2/h4-13H2,1-3H3,(H,15,17);1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane?
N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane has a molecular weight of 320.54 g/mol, XLogP of 3.02, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(3-methoxypropylsulfanyl)hexanamide;ethane is sourced from PubChem (CID 143085255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).