N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide

C14H28N2O3S2 — CID 53278532

IUPACN-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCSC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3S2/c1-5-21(18,19)16-9-6-12(7-10-16)13(17)15-8-11-20-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyDPXOFKDZUIQUNP-UHFFFAOYSA-N
MW336.52 g/mol
LogP1.70
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 53278532) has the molecular formula C14H28N2O3S2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID53278532
Molecular FormulaC14H28N2O3S2
Molecular Weight336.52 g/mol
Exact Mass336.15
IUPAC NameN-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCSC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3S2/c1-5-21(18,19)16-9-6-12(7-10-16)13(17)15-8-11-20-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)
InChIKeyDPXOFKDZUIQUNP-UHFFFAOYSA-N
XLogP1.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.70
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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Related Compounds

N-(3-ethoxypropyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236383
N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-(3-ethoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236874
1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
N-(3-methoxypropyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3241491
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
N-[3-(Dipropylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 16034200
N-{3-[Butyl(methyl)amino]propyl}-1-(propane-1-sulfonyl)piperidine-4-carboxamide
CID 16034251
1-(ethylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3241542

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 53278532) is N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCSC(C)(C)C)CC1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is DPXOFKDZUIQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S2/c1-5-21(18,19)16-9-6-12(7-10-16)13(17)15-8-11-20-14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17).
What are the key properties of N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53278532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).