N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide

C16H30N2OS — CID 99970726

IUPACN-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCCSC2CCCCC2)CC1
InChIInChI=1S/C16H30N2OS/c1-18-11-8-14(9-12-18)16(19)17-10-5-13-20-15-6-3-2-4-7-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyUNHYMXTZIMQVNC-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.90
Rot. Bonds6

About N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide

N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide (PubChem CID 99970726) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
PubChem CID99970726
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCCSC2CCCCC2)CC1
InChIInChI=1S/C16H30N2OS/c1-18-11-8-14(9-12-18)16(19)17-10-5-13-20-15-6-3-2-4-7-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyUNHYMXTZIMQVNC-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.90
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-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide (CID 99970726) is N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NCCCSC2CCCCC2)CC1.
What is the InChIKey of N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is UNHYMXTZIMQVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-18-11-8-14(9-12-18)16(19)17-10-5-13-20-15-6-3-2-4-7-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide?
N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 298.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanylpropyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 99970726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).