N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C17H24N4O3S2 — CID 20923081

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC1CCCN(CCCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)C1
InChIInChI=1S/C17H24N4O3S2/c1-13-4-2-10-21(12-13)11-3-9-18-26(23,24)17-8-6-15(25-17)14-5-7-16(22)20-19-14/h5-8,13,18H,2-4,9-12H2,1H3,(H,20,22)
InChIKeyYRRJLWCAOODWMU-UHFFFAOYSA-N
MW396.54 g/mol
LogP1.90
Rot. Bonds7

About N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923081) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923081
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC1CCCN(CCCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)C1
InChIInChI=1S/C17H24N4O3S2/c1-13-4-2-10-21(12-13)11-3-9-18-26(23,24)17-8-6-15(25-17)14-5-7-16(22)20-19-14/h5-8,13,18H,2-4,9-12H2,1H3,(H,20,22)
InChIKeyYRRJLWCAOODWMU-UHFFFAOYSA-N
XLogP1.90
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923081) is N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CC1CCCN(CCCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is YRRJLWCAOODWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-13-4-2-10-21(12-13)11-3-9-18-26(23,24)17-8-6-15(25-17)14-5-7-16(22)20-19-14/h5-8,13,18H,2-4,9-12H2,1H3,(H,20,22).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 396.54 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).