1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide

C10H20N4O2S — CID 106059006

IUPAC1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C10H20N4O2S/c1-9(2)3-5-13-17(15,16)10-7-12-14(8-10)6-4-11/h7-9,13H,3-6,11H2,1-2H3
InChIKeySBOQLUHLUOHEJR-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.17
Rot. Bonds7

About 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide (PubChem CID 106059006) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
PubChem CID106059006
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C10H20N4O2S/c1-9(2)3-5-13-17(15,16)10-7-12-14(8-10)6-4-11/h7-9,13H,3-6,11H2,1-2H3
InChIKeySBOQLUHLUOHEJR-UHFFFAOYSA-N
XLogP0.17
TPSA90.01 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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
CID 107818607
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115522912
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
CID 106056409
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide (CID 106059006) is 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide is CC(C)CCNS(=O)(=O)c1cnn(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide?
The InChIKey is SBOQLUHLUOHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(2)3-5-13-17(15,16)10-7-12-14(8-10)6-4-11/h7-9,13H,3-6,11H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106059006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).