1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

C15H23N3O3S2 — CID 121154148

IUPAC1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)s1
InChIInChI=1S/C15H23N3O3S2/c1-2-13-3-4-14(22-13)23(20,21)18-9-12(10-18)17-7-5-11(6-8-17)15(16)19/h3-4,11-12H,2,5-10H2,1H3,(H2,16,19)
InChIKeyJHFISOWXIVTOCD-UHFFFAOYSA-N
MW357.50 g/mol
LogP0.88
Rot. Bonds5

About 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154148) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154148
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)s1
InChIInChI=1S/C15H23N3O3S2/c1-2-13-3-4-14(22-13)23(20,21)18-9-12(10-18)17-7-5-11(6-8-17)15(16)19/h3-4,11-12H,2,5-10H2,1H3,(H2,16,19)
InChIKeyJHFISOWXIVTOCD-UHFFFAOYSA-N
XLogP0.88
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154139
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
(3S,4R)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090321
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154153
N-(2-aminoethyl)-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119971441
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
ethyl 1-(5-ethylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 115282486
1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154164

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (CID 121154148) is 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is CCc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)s1.
What is the InChIKey of 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is JHFISOWXIVTOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-2-13-3-4-14(22-13)23(20,21)18-9-12(10-18)17-7-5-11(6-8-17)15(16)19/h3-4,11-12H,2,5-10H2,1H3,(H2,16,19).
What are the key properties of 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).