3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide

C13H28N4O2S — CID 106049657

IUPAC3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCN2CCCCC2)C1
InChIInChI=1S/C13H28N4O2S/c14-11-13-5-4-9-17(12-13)20(18,19)15-6-10-16-7-2-1-3-8-16/h13,15H,1-12,14H2
InChIKeyUHVJXZMESYPPLW-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.02
Rot. Bonds6

About 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide

3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide (PubChem CID 106049657) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
PubChem CID106049657
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCN2CCCCC2)C1
InChIInChI=1S/C13H28N4O2S/c14-11-13-5-4-9-17(12-13)20(18,19)15-6-10-16-7-2-1-3-8-16/h13,15H,1-12,14H2
InChIKeyUHVJXZMESYPPLW-UHFFFAOYSA-N
XLogP-0.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
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-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
CID 119915689
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
CID 106077004
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 114141669
3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
CID 106059384
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide (CID 106049657) is 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)NCCN2CCCCC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide?
The InChIKey is UHVJXZMESYPPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c14-11-13-5-4-9-17(12-13)20(18,19)15-6-10-16-7-2-1-3-8-16/h13,15H,1-12,14H2.
What are the key properties of 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106049657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).