1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide

C10H21N5O2S — CID 106017137

IUPAC1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cnn(CCN)c1)N(C)C
InChIInChI=1S/C10H21N5O2S/c1-9(14(2)3)6-13-18(16,17)10-7-12-15(8-10)5-4-11/h7-9,13H,4-6,11H2,1-3H3
InChIKeyVNTUFXINCZHXGK-UHFFFAOYSA-N
MW275.38 g/mol
LogP-0.93
Rot. Bonds7

About 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide (PubChem CID 106017137) has the molecular formula C10H21N5O2S and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
PubChem CID106017137
Molecular FormulaC10H21N5O2S
Molecular Weight275.38 g/mol
Exact Mass275.14
IUPAC Name1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
SMILESCC(CNS(=O)(=O)c1cnn(CCN)c1)N(C)C
InChIInChI=1S/C10H21N5O2S/c1-9(14(2)3)6-13-18(16,17)10-7-12-15(8-10)5-4-11/h7-9,13H,4-6,11H2,1-3H3
InChIKeyVNTUFXINCZHXGK-UHFFFAOYSA-N
XLogP-0.93
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
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-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
N-[2-[cyclopropyl(methyl)amino]propyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106094169
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
CID 106056409
1-(2-aminoethyl)-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115522912
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
CID 106021617
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide (CID 106017137) is 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide is CC(CNS(=O)(=O)c1cnn(CCN)c1)N(C)C.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide?
The InChIKey is VNTUFXINCZHXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2S/c1-9(14(2)3)6-13-18(16,17)10-7-12-15(8-10)5-4-11/h7-9,13H,4-6,11H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide has a molecular weight of 275.38 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106017137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).