N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide

C9H17N3O2S — CID 112686403

IUPACN-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCn1cccn1
InChIInChI=1S/C9H17N3O2S/c1-2-9-15(13,14)11-6-4-8-12-7-3-5-10-12/h3,5,7,11H,2,4,6,8-9H2,1H3
InChIKeyLPQQDZCBWFWTIZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.60
Rot. Bonds7

About N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide

N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide (PubChem CID 112686403) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
PubChem CID112686403
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCn1cccn1
InChIInChI=1S/C9H17N3O2S/c1-2-9-15(13,14)11-6-4-8-12-7-3-5-10-12/h3,5,7,11H,2,4,6,8-9H2,1H3
InChIKeyLPQQDZCBWFWTIZ-UHFFFAOYSA-N
XLogP0.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
CID 114141939
N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide
CID 110716313
3-(propylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106076985
1-pentylpyrazole;propane
CID 156859541
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
5-(aminomethyl)-1-methyl-N-(3-pyrazol-1-ylpropyl)pyrrole-3-sulfonamide
CID 106077067
3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106077027
N-octadecylpropane-1-sulfonamide
CID 88827291
5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 112697586
2-methyl-1-(2-methylsulfonylethyl)-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906128

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide (CID 112686403) is N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCCn1cccn1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide?
The InChIKey is LPQQDZCBWFWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-9-15(13,14)11-6-4-8-12-7-3-5-10-12/h3,5,7,11H,2,4,6,8-9H2,1H3.
What are the key properties of N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide?
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 112686403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).