1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide

C11H20N4O3S — CID 106090909

IUPAC1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cnn(CCN)c2)CCC1
InChIInChI=1S/C11H20N4O3S/c1-18-11(3-2-4-11)9-14-19(16,17)10-7-13-15(8-10)6-5-12/h7-8,14H,2-6,9,12H2,1H3
InChIKeyXVTUEACRGDQEFY-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.31
Rot. Bonds7

About 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide (PubChem CID 106090909) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide
PubChem CID106090909
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cnn(CCN)c2)CCC1
InChIInChI=1S/C11H20N4O3S/c1-18-11(3-2-4-11)9-14-19(16,17)10-7-13-15(8-10)6-5-12/h7-8,14H,2-6,9,12H2,1H3
InChIKeyXVTUEACRGDQEFY-UHFFFAOYSA-N
XLogP-0.31
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-[2-(ethylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090606
1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
CID 106089332
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
CID 106056409
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide (CID 106090909) is 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide is COC1(CNS(=O)(=O)c2cnn(CCN)c2)CCC1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is XVTUEACRGDQEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-18-11(3-2-4-11)9-14-19(16,17)10-7-13-15(8-10)6-5-12/h7-8,14H,2-6,9,12H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.31, 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-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106090909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).