N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide

C12H22N4O2S — CID 107463809

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)CC1CCCCN1
InChIInChI=1S/C12H22N4O2S/c1-3-11-12(8-16(2)14-11)15-19(17,18)9-10-6-4-5-7-13-10/h8,10,13,15H,3-7,9H2,1-2H3
InChIKeyRKOKGAFGBNTTMA-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.87
Rot. Bonds5

About N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide

N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 107463809) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID107463809
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)CC1CCCCN1
InChIInChI=1S/C12H22N4O2S/c1-3-11-12(8-16(2)14-11)15-19(17,18)9-10-6-4-5-7-13-10/h8,10,13,15H,3-7,9H2,1-2H3
InChIKeyRKOKGAFGBNTTMA-UHFFFAOYSA-N
XLogP0.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974228
N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide
CID 107463082
N-(2,5-dimethylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973643
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-(3-methyl-1,2-oxazol-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973614
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 112668454

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide (CID 107463809) is N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide is CCc1nn(C)cc1NS(=O)(=O)CC1CCCCN1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is RKOKGAFGBNTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-11-12(8-16(2)14-11)15-19(17,18)9-10-6-4-5-7-13-10/h8,10,13,15H,3-7,9H2,1-2H3.
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 107463809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).