N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide

C18H22N4O4S — CID 97268000

IUPACN-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H22N4O4S/c23-17-11-19-16(10-20-17)18(24)22-8-4-7-15(12-22)9-21-27(25,26)13-14-5-2-1-3-6-14/h1-3,5-6,10-11,15,21H,4,7-9,12-13H2,(H,20,23)/t15-/m1/s1
InChIKeyOJVANFIJQKQAIY-OAHLLOKOSA-N
MW390.47 g/mol
LogP0.74
Rot. Bonds6

About N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide

N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 97268000) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID97268000
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H22N4O4S/c23-17-11-19-16(10-20-17)18(24)22-8-4-7-15(12-22)9-21-27(25,26)13-14-5-2-1-3-6-14/h1-3,5-6,10-11,15,21H,4,7-9,12-13H2,(H,20,23)/t15-/m1/s1
InChIKeyOJVANFIJQKQAIY-OAHLLOKOSA-N
XLogP0.74
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-5-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-1H-pyrazine
CID 61130865
ethyl 2-[[(3S)-3-[(benzylsulfonylamino)methyl]piperidine-1-carbonyl]amino]acetate
CID 42567032
5-[(3R)-3-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 96579681
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-sulfonamide
CID 61128657
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
CID 97273714
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64605803
5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate
CID 61132158

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide (CID 97268000) is N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide is O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is OJVANFIJQKQAIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O4S/c23-17-11-19-16(10-20-17)18(24)22-8-4-7-15(12-22)9-21-27(25,26)13-14-5-2-1-3-6-14/h1-3,5-6,10-11,15,21H,4,7-9,12-13H2,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 97268000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).