N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide

C15H32N2O2S — CID 88901283

IUPACN-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide
SMILESCOCCCSCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C15H32N2O2S/c1-17(2)11-7-10-16-15(18)9-5-4-6-13-20-14-8-12-19-3/h4-14H2,1-3H3,(H,16,18)
InChIKeyIVTCCDMXPZETMU-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.38
Rot. Bonds14

About N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide

N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide (PubChem CID 88901283) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide
PubChem CID88901283
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide
SMILESCOCCCSCCCCCC(=O)NCCCN(C)C
InChIInChI=1S/C15H32N2O2S/c1-17(2)11-7-10-16-15(18)9-5-4-6-13-20-14-8-12-19-3/h4-14H2,1-3H3,(H,16,18)
InChIKeyIVTCCDMXPZETMU-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide (CID 88901283) is N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide is COCCCSCCCCCC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide?
The InChIKey is IVTCCDMXPZETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-17(2)11-7-10-16-15(18)9-5-4-6-13-20-14-8-12-19-3/h4-14H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide?
N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide has a molecular weight of 304.50 g/mol, XLogP of 2.38, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(3-methoxypropylsulfanyl)hexanamide is sourced from PubChem (CID 88901283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).