N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide

C15H28N2O3S2 — CID 56920303

IUPACN-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCSC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3S2/c1-2-22(19,20)17-10-7-13(8-11-17)15(18)16-9-12-21-14-5-3-4-6-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyBCGQFVBLLYDOFL-UHFFFAOYSA-N
MW348.53 g/mol
LogP1.84
Rot. Bonds7

About N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 56920303) has the molecular formula C15H28N2O3S2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID56920303
Molecular FormulaC15H28N2O3S2
Molecular Weight348.53 g/mol
Exact Mass348.15
IUPAC NameN-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCSC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3S2/c1-2-22(19,20)17-10-7-13(8-11-17)15(18)16-9-12-21-14-5-3-4-6-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyBCGQFVBLLYDOFL-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 51.84
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-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 56920303) is N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCSC2CCCC2)CC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is BCGQFVBLLYDOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S2/c1-2-22(19,20)17-10-7-13(8-11-17)15(18)16-9-12-21-14-5-3-4-6-14/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 348.53 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56920303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).