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

C17H24N4O3S2 — CID 92706628

IUPACN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESC[C@@H]1CCCN(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)/t13-/m1/s1
InChIKeyYRRJLWCAOODWMU-CYBMUJFWSA-N
MW396.54 g/mol
LogP1.90
Rot. Bonds7

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

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 92706628) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID92706628
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESC[C@@H]1CCCN(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)/t13-/m1/s1
InChIKeyYRRJLWCAOODWMU-CYBMUJFWSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
CID 20939789
N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92723328
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94115500
3-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100721189
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
N-[5-[3-[(3S)-3-methylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 125053761
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
4-chloro-N-[5-[3-(3-methylpiperidin-1-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133186811
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 20935012

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 92706628) is N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)C1.
What is the InChIKey of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is YRRJLWCAOODWMU-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[3-[(3R)-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-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 92706628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).