1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide

C11H21N5O2S — CID 106025089

IUPAC1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cnn(CCN)c2)CC1
InChIInChI=1S/C11H21N5O2S/c1-15-5-2-10(3-6-15)14-19(17,18)11-8-13-16(9-11)7-4-12/h8-10,14H,2-7,12H2,1H3
InChIKeyWCSYDJCQOUTZBG-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.79
Rot. Bonds5

About 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide (PubChem CID 106025089) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
PubChem CID106025089
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cnn(CCN)c2)CC1
InChIInChI=1S/C11H21N5O2S/c1-15-5-2-10(3-6-15)14-19(17,18)11-8-13-16(9-11)7-4-12/h8-10,14H,2-7,12H2,1H3
InChIKeyWCSYDJCQOUTZBG-UHFFFAOYSA-N
XLogP-0.79
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
CID 106075440
1-(2-aminoethyl)-N-(2,3-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106060239
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
CID 106069166
N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106068959
N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide
CID 154569315
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
CID 106091562
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide (CID 106025089) is 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide is CN1CCC(NS(=O)(=O)c2cnn(CCN)c2)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide?
The InChIKey is WCSYDJCQOUTZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-15-5-2-10(3-6-15)14-19(17,18)11-8-13-16(9-11)7-4-12/h8-10,14H,2-7,12H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.79, 5 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-methylpiperidin-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106025089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).