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

C10H18N4O2S — CID 54974228

IUPACN-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESCn1ccc(NS(=O)(=O)CC2CCCCN2)n1
InChIInChI=1S/C10H18N4O2S/c1-14-7-5-10(12-14)13-17(15,16)8-9-4-2-3-6-11-9/h5,7,9,11H,2-4,6,8H2,1H3,(H,12,13)
InChIKeyAUBJHROTPFSYIV-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.30
Rot. Bonds4

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

N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 54974228) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID54974228
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESCn1ccc(NS(=O)(=O)CC2CCCCN2)n1
InChIInChI=1S/C10H18N4O2S/c1-14-7-5-10(12-14)13-17(15,16)8-9-4-2-3-6-11-9/h5,7,9,11H,2-4,6,8H2,1H3,(H,12,13)
InChIKeyAUBJHROTPFSYIV-UHFFFAOYSA-N
XLogP0.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide (CID 54974228) is N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide is Cn1ccc(NS(=O)(=O)CC2CCCCN2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is AUBJHROTPFSYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-14-7-5-10(12-14)13-17(15,16)8-9-4-2-3-6-11-9/h5,7,9,11H,2-4,6,8H2,1H3,(H,12,13).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.30, 4 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)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54974228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).