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

C11H21N5O2S — CID 106218544

IUPAC2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1CN)c1cn[nH]c1
InChIInChI=1S/C11H21N5O2S/c1-9(10-7-13-14-8-10)15-19(17,18)16-5-3-2-4-11(16)6-12/h7-9,11,15H,2-6,12H2,1H3,(H,13,14)
InChIKeyCRXVOWQRAJEISG-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.12
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106218544) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106218544
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCC(NS(=O)(=O)N1CCCCC1CN)c1cn[nH]c1
InChIInChI=1S/C11H21N5O2S/c1-9(10-7-13-14-8-10)15-19(17,18)16-5-3-2-4-11(16)6-12/h7-9,11,15H,2-6,12H2,1H3,(H,13,14)
InChIKeyCRXVOWQRAJEISG-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218488
[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]methanamine
CID 116640142
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
CID 106003416
1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 106208912
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106083491
2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide
CID 103854198
N-[1-(1H-pyrazol-4-yl)ethyl]oxane-4-sulfonamide
CID 103854209
[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]methanamine
CID 116640169
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016123
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide (CID 106218544) is 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide is CC(NS(=O)(=O)N1CCCCC1CN)c1cn[nH]c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is CRXVOWQRAJEISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9(10-7-13-14-8-10)15-19(17,18)16-5-3-2-4-11(16)6-12/h7-9,11,15H,2-6,12H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106218544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).