N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide

C9H16N4O4S2 — CID 47265884

IUPACN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C9H16N4O4S2/c1-18(14,15)12-8-2-4-13(5-3-8)19(16,17)9-6-10-11-7-9/h6-8,12H,2-5H2,1H3,(H,10,11)
InChIKeyKGVNYKBHTNBYSY-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.89
Rot. Bonds4

About N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide

N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 47265884) has the molecular formula C9H16N4O4S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide
PubChem CID47265884
Molecular FormulaC9H16N4O4S2
Molecular Weight308.39 g/mol
Exact Mass308.06
IUPAC NameN-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C9H16N4O4S2/c1-18(14,15)12-8-2-4-13(5-3-8)19(16,17)9-6-10-11-7-9/h6-8,12H,2-5H2,1H3,(H,10,11)
InChIKeyKGVNYKBHTNBYSY-UHFFFAOYSA-N
XLogP-0.89
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide (CID 47265884) is N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is KGVNYKBHTNBYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S2/c1-18(14,15)12-8-2-4-13(5-3-8)19(16,17)9-6-10-11-7-9/h6-8,12H,2-5H2,1H3,(H,10,11).
What are the key properties of N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 308.39 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 47265884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).