N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide

C8H16N4O2S — CID 120713079

IUPACN-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)N[C@@H](C)CN
InChIInChI=1S/C8H16N4O2S/c1-3-12-8(4-5-10-12)15(13,14)11-7(2)6-9/h4-5,7,11H,3,6,9H2,1-2H3/t7-/m0/s1
InChIKeySVTKBSYOXRKUGD-ZETCQYMHSA-N
MW232.31 g/mol
LogP-0.47
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide

N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide (PubChem CID 120713079) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
PubChem CID120713079
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)N[C@@H](C)CN
InChIInChI=1S/C8H16N4O2S/c1-3-12-8(4-5-10-12)15(13,14)11-7(2)6-9/h4-5,7,11H,3,6,9H2,1-2H3/t7-/m0/s1
InChIKeySVTKBSYOXRKUGD-ZETCQYMHSA-N
XLogP-0.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
CID 120712481
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
CID 120713883
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
2-ethyl-N-[1-(4-methyl-2-pyridinyl)propyl]pyrazole-3-sulfonamide
CID 122556150
N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476
N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide
CID 122560120
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
2-ethyl-N,N-dimethylpyrazole-3-sulfonamide
CID 130703242
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide (CID 120713079) is N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide?
The InChIKey is SVTKBSYOXRKUGD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-3-12-8(4-5-10-12)15(13,14)11-7(2)6-9/h4-5,7,11H,3,6,9H2,1-2H3/t7-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide?
N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide is sourced from PubChem (CID 120713079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).