2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide

C10H20N4O2S — CID 120713883

IUPAC2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccnn1CC
InChIInChI=1S/C10H20N4O2S/c1-4-11-9(3)8-13-17(15,16)10-6-7-12-14(10)5-2/h6-7,9,11,13H,4-5,8H2,1-3H3/t9-/m1/s1
InChIKeySHPFZYFPCFUVOD-SECBINFHSA-N
MW260.36 g/mol
LogP0.18
Rot. Bonds7

About 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide

2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide (PubChem CID 120713883) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
PubChem CID120713883
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccnn1CC
InChIInChI=1S/C10H20N4O2S/c1-4-11-9(3)8-13-17(15,16)10-6-7-12-14(10)5-2/h6-7,9,11,13H,4-5,8H2,1-3H3/t9-/m1/s1
InChIKeySHPFZYFPCFUVOD-SECBINFHSA-N
XLogP0.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
CID 120713079
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476
2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide
CID 120706370
N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide
CID 122570703
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
2-ethyl-N,N-dimethylpyrazole-3-sulfonamide
CID 130703242
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
CID 120712481
N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120713904
3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
CID 120713919
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide (CID 120713883) is 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide is CCN[C@H](C)CNS(=O)(=O)c1ccnn1CC.
What is the InChIKey of 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide?
The InChIKey is SHPFZYFPCFUVOD-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-11-9(3)8-13-17(15,16)10-6-7-12-14(10)5-2/h6-7,9,11,13H,4-5,8H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide?
2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 120713883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).