4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide

C11H21N5O2S — CID 106218488

IUPAC4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCC(CN)CC1)c1cn[nH]c1
InChIInChI=1S/C11H21N5O2S/c1-9(11-7-13-14-8-11)15-19(17,18)16-4-2-10(6-12)3-5-16/h7-10,15H,2-6,12H2,1H3,(H,13,14)
InChIKeyVRPSUZUGFWGVBT-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.02
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide

4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106218488) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106218488
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCC(CN)CC1)c1cn[nH]c1
InChIInChI=1S/C11H21N5O2S/c1-9(11-7-13-14-8-11)15-19(17,18)16-4-2-10(6-12)3-5-16/h7-10,15H,2-6,12H2,1H3,(H,13,14)
InChIKeyVRPSUZUGFWGVBT-UHFFFAOYSA-N
XLogP-0.02
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218544
2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide
CID 103854198
4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
CID 106002812
1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 106208912
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679
3-(aminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106021797
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide
CID 103854209
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 103854160
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide (CID 106218488) is 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide is CC(NS(=O)(=O)N1CCC(CN)CC1)c1cn[nH]c1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is VRPSUZUGFWGVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9(11-7-13-14-8-11)15-19(17,18)16-4-2-10(6-12)3-5-16/h7-10,15H,2-6,12H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106218488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).