3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide

C11H21N5O2S — CID 106018210

IUPAC3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESCn1cc(CNS(=O)(=O)N2CCCC(CN)C2)cn1
InChIInChI=1S/C11H21N5O2S/c1-15-8-11(6-13-15)7-14-19(17,18)16-4-2-3-10(5-12)9-16/h6,8,10,14H,2-5,7,9,12H2,1H3
InChIKeyKQRIOXXNZPASPQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.57
Rot. Bonds5

About 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide

3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106018210) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID106018210
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESCn1cc(CNS(=O)(=O)N2CCCC(CN)C2)cn1
InChIInChI=1S/C11H21N5O2S/c1-15-8-11(6-13-15)7-14-19(17,18)16-4-2-3-10(5-12)9-16/h6,8,10,14H,2-5,7,9,12H2,1H3
InChIKeyKQRIOXXNZPASPQ-UHFFFAOYSA-N
XLogP-0.57
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018187
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 78979343
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 97045093
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106093569
3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
CID 106077004

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide (CID 106018210) is 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide is Cn1cc(CNS(=O)(=O)N2CCCC(CN)C2)cn1.
What is the InChIKey of 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is KQRIOXXNZPASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-15-8-11(6-13-15)7-14-19(17,18)16-4-2-3-10(5-12)9-16/h6,8,10,14H,2-5,7,9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106018210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).