N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide

C18H34N2O3S2 — CID 4144545

IUPACN-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCSC2CCCCC2)C1
InChIInChI=1S/C18H34N2O3S2/c1-2-14-25(22,23)20-12-6-8-16(15-20)18(21)19-11-7-13-24-17-9-4-3-5-10-17/h16-17H,2-15H2,1H3,(H,19,21)
InChIKeyOAYUAQZMGFMMBM-UHFFFAOYSA-N
MW390.62 g/mol
LogP3.01
Rot. Bonds9

About N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide

N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 4144545) has the molecular formula C18H34N2O3S2 and a molecular weight of 390.62 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID4144545
Molecular FormulaC18H34N2O3S2
Molecular Weight390.62 g/mol
Exact Mass390.20
IUPAC NameN-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCSC2CCCCC2)C1
InChIInChI=1S/C18H34N2O3S2/c1-2-14-25(22,23)20-12-6-8-16(15-20)18(21)19-11-7-13-24-17-9-4-3-5-10-17/h16-17H,2-15H2,1H3,(H,19,21)
InChIKeyOAYUAQZMGFMMBM-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 4144545) is N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCCSC2CCCCC2)C1.
What is the InChIKey of N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is OAYUAQZMGFMMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3S2/c1-2-14-25(22,23)20-12-6-8-16(15-20)18(21)19-11-7-13-24-17-9-4-3-5-10-17/h16-17H,2-15H2,1H3,(H,19,21).
What are the key properties of N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 390.62 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanylpropyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4144545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).