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

C12H22N4O2S — CID 103008088

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCn1nccc1CCNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H22N4O2S/c1-16-12(4-8-14-16)5-9-15-19(17,18)10-11-2-6-13-7-3-11/h4,8,11,13,15H,2-3,5-7,9-10H2,1H3
InChIKeyBXLJQLNWXQQPJO-UHFFFAOYSA-N
MW286.40 g/mol
LogP-0.12
Rot. Bonds6

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

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 103008088) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID103008088
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCn1nccc1CCNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H22N4O2S/c1-16-12(4-8-14-16)5-9-15-19(17,18)10-11-2-6-13-7-3-11/h4,8,11,13,15H,2-3,5-7,9-10H2,1H3
InChIKeyBXLJQLNWXQQPJO-UHFFFAOYSA-N
XLogP-0.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 103006585
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide
CID 65418761
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 62056399
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106085796
4-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxamide
CID 103006575
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 103004707

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide (CID 103008088) is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide is Cn1nccc1CCNS(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is BXLJQLNWXQQPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-16-12(4-8-14-16)5-9-15-19(17,18)10-11-2-6-13-7-3-11/h4,8,11,13,15H,2-3,5-7,9-10H2,1H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 103008088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).