N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide

C9H15N3O3S — CID 102691011

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O3S/c1-8(2)7-15-6-5-11-16(13,14)9-3-4-10-12-9/h3-4,11H,1,5-7H2,2H3,(H,10,12)
InChIKeyHYJKWYOEUBAAFZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.28
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide

N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691011) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691011
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O3S/c1-8(2)7-15-6-5-11-16(13,14)9-3-4-10-12-9/h3-4,11H,1,5-7H2,2H3,(H,10,12)
InChIKeyHYJKWYOEUBAAFZ-UHFFFAOYSA-N
XLogP0.28
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102692369
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113258245
N-[3-(2-bromoethoxy)propyl]-1H-pyrazole-5-sulfonamide
CID 106304886
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698761
3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide (CID 102691011) is N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide is C=C(C)COCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is HYJKWYOEUBAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-8(2)7-15-6-5-11-16(13,14)9-3-4-10-12-9/h3-4,11H,1,5-7H2,2H3,(H,10,12).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).