N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide

C11H18N4O3S — CID 54876939

IUPACN-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-2-19(17,18)14-10-3-5-15(6-4-10)11(16)9-7-12-13-8-9/h7-8,10,14H,2-6H2,1H3,(H,12,13)
InChIKeyYVNCVUAMTDELLQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.05
Rot. Bonds4

About N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide

N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 54876939) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide
PubChem CID54876939
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-2-19(17,18)14-10-3-5-15(6-4-10)11(16)9-7-12-13-8-9/h7-8,10,14H,2-6H2,1H3,(H,12,13)
InChIKeyYVNCVUAMTDELLQ-UHFFFAOYSA-N
XLogP-0.05
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide (CID 54876939) is N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is YVNCVUAMTDELLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-2-19(17,18)14-10-3-5-15(6-4-10)11(16)9-7-12-13-8-9/h7-8,10,14H,2-6H2,1H3,(H,12,13).
What are the key properties of N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 54876939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).