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

C11H21N5O2S — CID 106018056

IUPAC3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCn2ccnc2)C1
InChIInChI=1S/C11H21N5O2S/c12-8-11-2-1-5-16(9-11)19(17,18)14-4-7-15-6-3-13-10-15/h3,6,10-11,14H,1-2,4-5,7-9,12H2
InChIKeyNEDXSSBIWJKXNY-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.61
Rot. Bonds6

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

3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide (PubChem CID 106018056) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
PubChem CID106018056
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCn2ccnc2)C1
InChIInChI=1S/C11H21N5O2S/c12-8-11-2-1-5-16(9-11)19(17,18)14-4-7-15-6-3-13-10-15/h3,6,10-11,14H,1-2,4-5,7-9,12H2
InChIKeyNEDXSSBIWJKXNY-UHFFFAOYSA-N
XLogP-0.61
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106018117
4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018033
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
CID 106077004
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
CID 106059384

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide (CID 106018056) is 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)NCCn2ccnc2)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide?
The InChIKey is NEDXSSBIWJKXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c12-8-11-2-1-5-16(9-11)19(17,18)14-4-7-15-6-3-13-10-15/h3,6,10-11,14H,1-2,4-5,7-9,12H2.
What are the key properties of 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106018056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).