N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide

C12H20N4O3S — CID 110271109

IUPACN-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1cn[nH]c1C1CCCCN1C(=O)CNS(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-9-7-13-15-12(9)10-5-3-4-6-16(10)11(17)8-14-20(2,18)19/h7,10,14H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyNKPLMWODNVJFRC-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.32
Rot. Bonds4

About N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 110271109) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID110271109
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1cn[nH]c1C1CCCCN1C(=O)CNS(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-9-7-13-15-12(9)10-5-3-4-6-16(10)11(17)8-14-20(2,18)19/h7,10,14H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyNKPLMWODNVJFRC-UHFFFAOYSA-N
XLogP0.32
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118741487
1-[2-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]prop-2-en-1-one
CID 168289668
2-(N-methylmethanesulfonamido)-N-({4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}methyl)acetamide
CID 91629669
N-[5-[1-(2-fluoroprop-2-enoyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanesulfonamide
CID 166417390
((1S)-1-{[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}butyl)amine
CID 56747571
N-{(3S*,4R*)-1-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-isopropyl-3-pyrrolidinyl}methanesulfonamide
CID 70730661
N-methyl-N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 71871657
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 126466575
2-methyl-1-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 86301381
7-Methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 155163358
2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 175982939
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 53506367

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 110271109) is N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide is Cc1cn[nH]c1C1CCCCN1C(=O)CNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is NKPLMWODNVJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-7-13-15-12(9)10-5-3-4-6-16(10)11(17)8-14-20(2,18)19/h7,10,14H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 110271109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).