N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide

C11H20N4O2S — CID 82873939

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCn1ccc(CNS(=O)(=O)CC2CCCNC2)n1
InChIInChI=1S/C11H20N4O2S/c1-15-6-4-11(14-15)8-13-18(16,17)9-10-3-2-5-12-7-10/h4,6,10,12-13H,2-3,5,7-9H2,1H3
InChIKeyVQMOKRCUMFDNGB-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.16
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide

N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 82873939) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID82873939
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCn1ccc(CNS(=O)(=O)CC2CCCNC2)n1
InChIInChI=1S/C11H20N4O2S/c1-15-6-4-11(14-15)8-13-18(16,17)9-10-3-2-5-12-7-10/h4,6,10,12-13H,2-3,5,7-9H2,1H3
InChIKeyVQMOKRCUMFDNGB-UHFFFAOYSA-N
XLogP-0.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 106303568
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82742611
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide
CID 113413001
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 116787354

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide (CID 82873939) is N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is Cn1ccc(CNS(=O)(=O)CC2CCCNC2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is VQMOKRCUMFDNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15-6-4-11(14-15)8-13-18(16,17)9-10-3-2-5-12-7-10/h4,6,10,12-13H,2-3,5,7-9H2,1H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide?
N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 82873939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).