2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide

C12H24N2OS — CID 119389143

IUPAC2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
SMILESCC(C)CCSCC(=O)NC1CCNCC1
InChIInChI=1S/C12H24N2OS/c1-10(2)5-8-16-9-12(15)14-11-3-6-13-7-4-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyNYMRFPQSMAGCKD-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.63
Rot. Bonds6

About 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide

2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide (PubChem CID 119389143) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
PubChem CID119389143
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
SMILESCC(C)CCSCC(=O)NC1CCNCC1
InChIInChI=1S/C12H24N2OS/c1-10(2)5-8-16-9-12(15)14-11-3-6-13-7-4-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyNYMRFPQSMAGCKD-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide (CID 119389143) is 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide is CC(C)CCSCC(=O)NC1CCNCC1.
What is the InChIKey of 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide?
The InChIKey is NYMRFPQSMAGCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(2)5-8-16-9-12(15)14-11-3-6-13-7-4-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide?
2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide has a molecular weight of 244.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119389143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).