1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C16H25N3O4S — CID 7828947

IUPAC1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCC[C@H]1CCCCN1C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C16H25N3O4S/c1-4-13-7-5-6-10-19(13)16(21)12-18-11-14(8-9-15(18)20)24(22,23)17(2)3/h8-9,11,13H,4-7,10,12H2,1-3H3/t13-/m0/s1
InChIKeyBFOJSBMQCPUCQK-ZDUSSCGKSA-N
MW355.46 g/mol
LogP0.89
Rot. Bonds5

About 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 7828947) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID7828947
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCC[C@H]1CCCCN1C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C16H25N3O4S/c1-4-13-7-5-6-10-19(13)16(21)12-18-11-14(8-9-15(18)20)24(22,23)17(2)3/h8-9,11,13H,4-7,10,12H2,1-3H3/t13-/m0/s1
InChIKeyBFOJSBMQCPUCQK-ZDUSSCGKSA-N
XLogP0.89
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 7828947) is 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is CC[C@H]1CCCCN1C(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is BFOJSBMQCPUCQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-4-13-7-5-6-10-19(13)16(21)12-18-11-14(8-9-15(18)20)24(22,23)17(2)3/h8-9,11,13H,4-7,10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 7828947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).