N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide

C11H15N3O3S — CID 164634519

IUPACN-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCN1C[C@@H](NS(=O)(=O)c2cccnc2)CCC1=O
InChIInChI=1S/C11H15N3O3S/c1-14-8-9(4-5-11(14)15)13-18(16,17)10-3-2-6-12-7-10/h2-3,6-7,9,13H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyZOSJFTBROZSFJM-VIFPVBQESA-N
MW269.33 g/mol
LogP-0.02
Rot. Bonds3

About N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide

N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide (PubChem CID 164634519) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide
PubChem CID164634519
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide
SMILESCN1C[C@@H](NS(=O)(=O)c2cccnc2)CCC1=O
InChIInChI=1S/C11H15N3O3S/c1-14-8-9(4-5-11(14)15)13-18(16,17)10-3-2-6-12-7-10/h2-3,6-7,9,13H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyZOSJFTBROZSFJM-VIFPVBQESA-N
XLogP-0.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide (CID 164634519) is N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide is CN1C[C@@H](NS(=O)(=O)c2cccnc2)CCC1=O.
What is the InChIKey of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is ZOSJFTBROZSFJM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-14-8-9(4-5-11(14)15)13-18(16,17)10-3-2-6-12-7-10/h2-3,6-7,9,13H,4-5,8H2,1H3/t9-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide?
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 164634519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).