(3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide

C15H23N3O4S — CID 164637510

IUPAC(3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)NOCc2cccc(C)n2)C1
InChIInChI=1S/C15H23N3O4S/c1-3-23(20,21)18-9-5-7-13(10-18)15(19)17-22-11-14-8-4-6-12(2)16-14/h4,6,8,13H,3,5,7,9-11H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyXISRQUAKXAEDLM-ZDUSSCGKSA-N
MW341.43 g/mol
LogP1.00
Rot. Bonds6

About (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide

(3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide (PubChem CID 164637510) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide
PubChem CID164637510
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@H](C(=O)NOCc2cccc(C)n2)C1
InChIInChI=1S/C15H23N3O4S/c1-3-23(20,21)18-9-5-7-13(10-18)15(19)17-22-11-14-8-4-6-12(2)16-14/h4,6,8,13H,3,5,7,9-11H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyXISRQUAKXAEDLM-ZDUSSCGKSA-N
XLogP1.00
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide (CID 164637510) is (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@H](C(=O)NOCc2cccc(C)n2)C1.
What is the InChIKey of (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide?
The InChIKey is XISRQUAKXAEDLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-23(20,21)18-9-5-7-13(10-18)15(19)17-22-11-14-8-4-6-12(2)16-14/h4,6,8,13H,3,5,7,9-11H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide?
(3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methoxy]piperidine-3-carboxamide is sourced from PubChem (CID 164637510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).