6-(3-methylsulfanylpropanoylamino)hexanamide

C10H20N2O2S — CID 88864548

IUPAC6-(3-methylsulfanylpropanoylamino)hexanamide
SMILESCSCCC(=O)NCCCCCC(N)=O
InChIInChI=1S/C10H20N2O2S/c1-15-8-6-10(14)12-7-4-2-3-5-9(11)13/h2-8H2,1H3,(H2,11,13)(H,12,14)
InChIKeyPPDIURYKFGPHFW-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.90
Rot. Bonds9

About 6-(3-methylsulfanylpropanoylamino)hexanamide

6-(3-methylsulfanylpropanoylamino)hexanamide (PubChem CID 88864548) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 6-(3-methylsulfanylpropanoylamino)hexanamide.

Molecular Properties

Compound Name6-(3-methylsulfanylpropanoylamino)hexanamide
PubChem CID88864548
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name6-(3-methylsulfanylpropanoylamino)hexanamide
SMILESCSCCC(=O)NCCCCCC(N)=O
InChIInChI=1S/C10H20N2O2S/c1-15-8-6-10(14)12-7-4-2-3-5-9(11)13/h2-8H2,1H3,(H2,11,13)(H,12,14)
InChIKeyPPDIURYKFGPHFW-UHFFFAOYSA-N
XLogP0.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 50991459
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CID 46882810
CID 46882810
CID 274315
CID 274315
CID 82685
CID 82685
CID 3922108
CID 3922108
CID 588868
CID 588868
CID 52911769
CID 52911769
CID 56603557
CID 56603557
CID 84585989
CID 84585989
CID 57218
CID 57218
CID 154975784
CID 154975784
CID 567941
CID 567941

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfanylpropanoylamino)hexanamide?
The IUPAC name of 6-(3-methylsulfanylpropanoylamino)hexanamide (CID 88864548) is 6-(3-methylsulfanylpropanoylamino)hexanamide.
What is the SMILES notation for 6-(3-methylsulfanylpropanoylamino)hexanamide?
The canonical SMILES for 6-(3-methylsulfanylpropanoylamino)hexanamide is CSCCC(=O)NCCCCCC(N)=O.
What is the InChIKey of 6-(3-methylsulfanylpropanoylamino)hexanamide?
The InChIKey is PPDIURYKFGPHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15-8-6-10(14)12-7-4-2-3-5-9(11)13/h2-8H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 6-(3-methylsulfanylpropanoylamino)hexanamide?
6-(3-methylsulfanylpropanoylamino)hexanamide has a molecular weight of 232.35 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfanylpropanoylamino)hexanamide is sourced from PubChem (CID 88864548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).