N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide

C13H24N2O3S — CID 59109410

IUPACN-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide
SMILESCNC(=O)CCCCCNC(=O)CCSCC(C)=O
InChIInChI=1S/C13H24N2O3S/c1-11(16)10-19-9-7-13(18)15-8-5-3-4-6-12(17)14-2/h3-10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyOTTPFCSWNQYXHA-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.12
Rot. Bonds11

About N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide

N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide (PubChem CID 59109410) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide.

Molecular Properties

Compound NameN-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide
PubChem CID59109410
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide
SMILESCNC(=O)CCCCCNC(=O)CCSCC(C)=O
InChIInChI=1S/C13H24N2O3S/c1-11(16)10-19-9-7-13(18)15-8-5-3-4-6-12(17)14-2/h3-10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyOTTPFCSWNQYXHA-UHFFFAOYSA-N
XLogP1.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
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-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide?
The IUPAC name of N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide (CID 59109410) is N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide.
What is the SMILES notation for N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide?
The canonical SMILES for N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide is CNC(=O)CCCCCNC(=O)CCSCC(C)=O.
What is the InChIKey of N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide?
The InChIKey is OTTPFCSWNQYXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-11(16)10-19-9-7-13(18)15-8-5-3-4-6-12(17)14-2/h3-10H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide?
N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide has a molecular weight of 288.41 g/mol, XLogP of 1.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(2-oxopropylsulfanyl)propanoylamino]hexanamide is sourced from PubChem (CID 59109410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).