N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide

C15H28N2OS — CID 50874508

IUPACN-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCSC2CCCCC2)C1
InChIInChI=1S/C15H28N2OS/c1-17-10-5-6-13(12-17)15(18)16-9-11-19-14-7-3-2-4-8-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyNADSEXWCSVZDFB-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.51
Rot. Bonds5

About N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide

N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide (PubChem CID 50874508) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide
PubChem CID50874508
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCSC2CCCCC2)C1
InChIInChI=1S/C15H28N2OS/c1-17-10-5-6-13(12-17)15(18)16-9-11-19-14-7-3-2-4-8-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyNADSEXWCSVZDFB-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.51
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-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide (CID 50874508) is N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)NCCSC2CCCCC2)C1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is NADSEXWCSVZDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-17-10-5-6-13(12-17)15(18)16-9-11-19-14-7-3-2-4-8-14/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide?
N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 284.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 50874508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).