N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide

C13H24N2O2S — CID 71864577

IUPACN-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide
SMILESCC(=O)NCCCSCC(=O)N1CCCCC1C
InChIInChI=1S/C13H24N2O2S/c1-11-6-3-4-8-15(11)13(17)10-18-9-5-7-14-12(2)16/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyJKXOELKQSPOUEP-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.65
Rot. Bonds6

About N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide

N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide (PubChem CID 71864577) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide
PubChem CID71864577
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide
SMILESCC(=O)NCCCSCC(=O)N1CCCCC1C
InChIInChI=1S/C13H24N2O2S/c1-11-6-3-4-8-15(11)13(17)10-18-9-5-7-14-12(2)16/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyJKXOELKQSPOUEP-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide?
The IUPAC name of N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide (CID 71864577) is N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide?
The canonical SMILES for N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide is CC(=O)NCCCSCC(=O)N1CCCCC1C.
What is the InChIKey of N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide?
The InChIKey is JKXOELKQSPOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-11-6-3-4-8-15(11)13(17)10-18-9-5-7-14-12(2)16/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide?
N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide has a molecular weight of 272.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide is sourced from PubChem (CID 71864577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).