N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide

C10H20N4O2S — CID 113226739

IUPACN-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H20N4O2S/c1-9(2)14(3)6-4-5-13-17(15,16)10-7-11-12-8-10/h7-9,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyVGAFPISRUPVIKM-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.42
Rot. Bonds7

About N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide

N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide (PubChem CID 113226739) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
PubChem CID113226739
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H20N4O2S/c1-9(2)14(3)6-4-5-13-17(15,16)10-7-11-12-8-10/h7-9,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyVGAFPISRUPVIKM-UHFFFAOYSA-N
XLogP0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-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

N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
CID 115599999
4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide
CID 106044114
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
CID 115628631
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide (CID 113226739) is N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide is CC(C)N(C)CCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VGAFPISRUPVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(2)14(3)6-4-5-13-17(15,16)10-7-11-12-8-10/h7-9,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide?
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113226739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).