N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide

C11H22N4O2S — CID 94025245

IUPACN-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN(CC)[C@@H](C)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H22N4O2S/c1-5-15(6-2)10(3)7-13-18(16,17)11-8-12-14(4)9-11/h8-10,13H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyZEVIUVIFZRKQFQ-JTQLQIEISA-N
MW274.39 g/mol
LogP0.43
Rot. Bonds7

About N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide

N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 94025245) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide
PubChem CID94025245
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN(CC)[C@@H](C)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H22N4O2S/c1-5-15(6-2)10(3)7-13-18(16,17)11-8-12-14(4)9-11/h8-10,13H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyZEVIUVIFZRKQFQ-JTQLQIEISA-N
XLogP0.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide (CID 94025245) is N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide is CCN(CC)[C@@H](C)CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ZEVIUVIFZRKQFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-15(6-2)10(3)7-13-18(16,17)11-8-12-14(4)9-11/h8-10,13H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide?
N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 94025245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).