N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide

C15H26N4O4S — CID 91923547

IUPACN-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide
SMILESCCn1ccc(C(=O)N2CCC(CCOC)(NS(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H26N4O4S/c1-4-19-9-5-13(16-19)14(20)18-10-6-15(7-11-18,8-12-23-2)17-24(3,21)22/h5,9,17H,4,6-8,10-12H2,1-3H3
InChIKeyUZPKHIUMGSAPQE-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.46
Rot. Bonds7

About N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide

N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide (PubChem CID 91923547) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide
PubChem CID91923547
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC NameN-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide
SMILESCCn1ccc(C(=O)N2CCC(CCOC)(NS(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H26N4O4S/c1-4-19-9-5-13(16-19)14(20)18-10-6-15(7-11-18,8-12-23-2)17-24(3,21)22/h5,9,17H,4,6-8,10-12H2,1-3H3
InChIKeyUZPKHIUMGSAPQE-UHFFFAOYSA-N
XLogP0.46
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide (CID 91923547) is N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide is CCn1ccc(C(=O)N2CCC(CCOC)(NS(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is UZPKHIUMGSAPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-4-19-9-5-13(16-19)14(20)18-10-6-15(7-11-18,8-12-23-2)17-24(3,21)22/h5,9,17H,4,6-8,10-12H2,1-3H3.
What are the key properties of N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide?
N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazole-3-carbonyl)-4-(2-methoxyethyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 91923547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).