1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide

C11H23N5O3S — CID 106056409

IUPAC1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C11H23N5O3S/c1-15(7-8-19-2)6-4-14-20(17,18)11-9-13-16(10-11)5-3-12/h9-10,14H,3-8,12H2,1-2H3
InChIKeyUCGMAUWPVACWSN-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.30
Rot. Bonds10

About 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide (PubChem CID 106056409) has the molecular formula C11H23N5O3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
PubChem CID106056409
Molecular FormulaC11H23N5O3S
Molecular Weight305.40 g/mol
Exact Mass305.15
IUPAC Name1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C11H23N5O3S/c1-15(7-8-19-2)6-4-14-20(17,18)11-9-13-16(10-11)5-3-12/h9-10,14H,3-8,12H2,1-2H3
InChIKeyUCGMAUWPVACWSN-UHFFFAOYSA-N
XLogP-1.30
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
CID 106001877
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106056421
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62850113
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
1-(2-aminoethyl)-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115522912
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090909

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide (CID 106056409) is 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide is COCCN(C)CCNS(=O)(=O)c1cnn(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide?
The InChIKey is UCGMAUWPVACWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O3S/c1-15(7-8-19-2)6-4-14-20(17,18)11-9-13-16(10-11)5-3-12/h9-10,14H,3-8,12H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of -1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106056409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).