N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide

C12H20N4O3S — CID 97061042

IUPACN-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCC[C@@H](c2cn[nH]c2)C1)S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-15(20(2,18)19)9-12(17)16-5-3-4-10(8-16)11-6-13-14-7-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyZJJVDCAQRJVZTN-SNVBAGLBSA-N
MW300.38 g/mol
LogP0.01
Rot. Bonds4

About N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 97061042) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID97061042
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCC[C@@H](c2cn[nH]c2)C1)S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-15(20(2,18)19)9-12(17)16-5-3-4-10(8-16)11-6-13-14-7-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyZJJVDCAQRJVZTN-SNVBAGLBSA-N
XLogP0.01
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide (CID 97061042) is N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide is CN(CC(=O)N1CCC[C@@H](c2cn[nH]c2)C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is ZJJVDCAQRJVZTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15(20(2,18)19)9-12(17)16-5-3-4-10(8-16)11-6-13-14-7-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 97061042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).