N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide

C12H22N4O2S — CID 91836825

IUPACN-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCCn1ccc(CN2CCC(NS(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H22N4O2S/c1-3-16-9-6-12(13-16)10-15-7-4-11(5-8-15)14-19(2,17)18/h6,9,11,14H,3-5,7-8,10H2,1-2H3
InChIKeyWKKNCSJVTWZBMX-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.42
Rot. Bonds5

About N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide

N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 91836825) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID91836825
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCCn1ccc(CN2CCC(NS(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H22N4O2S/c1-3-16-9-6-12(13-16)10-15-7-4-11(5-8-15)14-19(2,17)18/h6,9,11,14H,3-5,7-8,10H2,1-2H3
InChIKeyWKKNCSJVTWZBMX-UHFFFAOYSA-N
XLogP0.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 77093819
1-[(1-ethylpyrazol-3-yl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 131889933
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 56908090
2-[[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 146135814
N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 162632987
[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 135106200
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
N-(1-ethylpyrrolidin-3-yl)methanesulfonamide
CID 131150504
1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131907063
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801540

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide (CID 91836825) is N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide is CCn1ccc(CN2CCC(NS(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is WKKNCSJVTWZBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-16-9-6-12(13-16)10-15-7-4-11(5-8-15)14-19(2,17)18/h6,9,11,14H,3-5,7-8,10H2,1-2H3.
What are the key properties of N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 91836825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).