3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide

C12H28N4O2S — CID 106034394

IUPAC3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C12H28N4O2S/c1-3-15(4-2)9-7-14-19(17,18)16-8-5-6-12(10-13)11-16/h12,14H,3-11,13H2,1-2H3
InChIKeyMOMMVFZDRDTQBB-UHFFFAOYSA-N
MW292.45 g/mol
LogP-0.17
Rot. Bonds8

About 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide

3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide (PubChem CID 106034394) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
PubChem CID106034394
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C12H28N4O2S/c1-3-15(4-2)9-7-14-19(17,18)16-8-5-6-12(10-13)11-16/h12,14H,3-11,13H2,1-2H3
InChIKeyMOMMVFZDRDTQBB-UHFFFAOYSA-N
XLogP-0.17
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014030
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 114134691
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106081643
3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 114141669

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide (CID 106034394) is 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide is CCN(CC)CCNS(=O)(=O)N1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide?
The InChIKey is MOMMVFZDRDTQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-3-15(4-2)9-7-14-19(17,18)16-8-5-6-12(10-13)11-16/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide?
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide has a molecular weight of 292.45 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106034394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).