1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide

C12H18N4O2S2 — CID 106069903

IUPAC1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
SMILESCCCNCCn1cc(S(=O)(=O)Nc2ccsc2)cn1
InChIInChI=1S/C12H18N4O2S2/c1-2-4-13-5-6-16-9-12(8-14-16)20(17,18)15-11-3-7-19-10-11/h3,7-10,13,15H,2,4-6H2,1H3
InChIKeyBSWVQUVWOPRHEL-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.75
Rot. Bonds8

About 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide

1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide (PubChem CID 106069903) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
PubChem CID106069903
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
SMILESCCCNCCn1cc(S(=O)(=O)Nc2ccsc2)cn1
InChIInChI=1S/C12H18N4O2S2/c1-2-4-13-5-6-16-9-12(8-14-16)20(17,18)15-11-3-7-19-10-11/h3,7-10,13,15H,2,4-6H2,1H3
InChIKeyBSWVQUVWOPRHEL-UHFFFAOYSA-N
XLogP1.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031917
N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106061520
1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087991
6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106060932
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-(2-methylbutan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106031589
N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106069221
1-[2-(propylamino)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106013151

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide (CID 106069903) is 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide is CCCNCCn1cc(S(=O)(=O)Nc2ccsc2)cn1.
What is the InChIKey of 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide?
The InChIKey is BSWVQUVWOPRHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-2-4-13-5-6-16-9-12(8-14-16)20(17,18)15-11-3-7-19-10-11/h3,7-10,13,15H,2,4-6H2,1H3.
What are the key properties of 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide?
1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 106069903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).