N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

C11H15N3O2S2 — CID 22207288

IUPACN-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1ccn(CCCNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H15N3O2S2/c1-10-5-8-14(13-10)7-3-6-12-18(15,16)11-4-2-9-17-11/h2,4-5,8-9,12H,3,6-7H2,1H3
InChIKeyZCTJGPPYUFQRKK-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.62
Rot. Bonds6

About N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 22207288) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID22207288
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1ccn(CCCNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C11H15N3O2S2/c1-10-5-8-14(13-10)7-3-6-12-18(15,16)11-4-2-9-17-11/h2,4-5,8-9,12H,3,6-7H2,1H3
InChIKeyZCTJGPPYUFQRKK-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (CID 22207288) is N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is Cc1ccn(CCCNS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is ZCTJGPPYUFQRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-10-5-8-14(13-10)7-3-6-12-18(15,16)11-4-2-9-17-11/h2,4-5,8-9,12H,3,6-7H2,1H3.
What are the key properties of N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22207288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).