N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide

C11H20N4O2S — CID 47372669

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cn[nH]c1)CN1CCCC1
InChIInChI=1S/C11H20N4O2S/c1-10(9-15-4-2-3-5-15)6-14-18(16,17)11-7-12-13-8-11/h7-8,10,14H,2-6,9H2,1H3,(H,12,13)
InChIKeyQHQDTJJHDWBYNV-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.42
Rot. Bonds6

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47372669) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID47372669
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cn[nH]c1)CN1CCCC1
InChIInChI=1S/C11H20N4O2S/c1-10(9-15-4-2-3-5-15)6-14-18(16,17)11-7-12-13-8-11/h7-8,10,14H,2-6,9H2,1H3,(H,12,13)
InChIKeyQHQDTJJHDWBYNV-UHFFFAOYSA-N
XLogP0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61275215
N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54903887
N-(3-bromo-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 114298119
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-(4-chloro-2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 66089488
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
N-(2-chloro-4-methylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158333
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide (CID 47372669) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide is CC(CNS(=O)(=O)c1cn[nH]c1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QHQDTJJHDWBYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-10(9-15-4-2-3-5-15)6-14-18(16,17)11-7-12-13-8-11/h7-8,10,14H,2-6,9H2,1H3,(H,12,13).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47372669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).