3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide

C11H22N6O2S — CID 106077004

IUPAC3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCCn2ccnn2)C1
InChIInChI=1S/C11H22N6O2S/c12-9-11-3-1-7-17(10-11)20(18,19)14-4-2-6-16-8-5-13-15-16/h5,8,11,14H,1-4,6-7,9-10,12H2
InChIKeyASOGBWLCLRWKGB-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.83
Rot. Bonds7

About 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide

3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide (PubChem CID 106077004) has the molecular formula C11H22N6O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
PubChem CID106077004
Molecular FormulaC11H22N6O2S
Molecular Weight302.40 g/mol
Exact Mass302.15
IUPAC Name3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCCn2ccnn2)C1
InChIInChI=1S/C11H22N6O2S/c12-9-11-3-1-7-17(10-11)20(18,19)14-4-2-6-16-8-5-13-15-16/h5,8,11,14H,1-4,6-7,9-10,12H2
InChIKeyASOGBWLCLRWKGB-UHFFFAOYSA-N
XLogP-0.83
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
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-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106081643
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
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
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
CID 106059384

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide (CID 106077004) is 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)NCCCn2ccnn2)C1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is ASOGBWLCLRWKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2S/c12-9-11-3-1-7-17(10-11)20(18,19)14-4-2-6-16-8-5-13-15-16/h5,8,11,14H,1-4,6-7,9-10,12H2.
What are the key properties of 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide?
3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106077004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).