3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide

C12H23N5O2S — CID 106081643

IUPAC3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCCc2ncc[nH]2)C1
InChIInChI=1S/C12H23N5O2S/c13-9-11-3-2-8-17(10-11)20(18,19)16-5-1-4-12-14-6-7-15-12/h6-7,11,16H,1-5,8-10,13H2,(H,14,15)
InChIKeySFDKCZWJZXEJEC-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.15
Rot. Bonds7

About 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide

3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide (PubChem CID 106081643) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
PubChem CID106081643
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
SMILESNCC1CCCN(S(=O)(=O)NCCCc2ncc[nH]2)C1
InChIInChI=1S/C12H23N5O2S/c13-9-11-3-2-8-17(10-11)20(18,19)16-5-1-4-12-14-6-7-15-12/h6-7,11,16H,1-5,8-10,13H2,(H,14,15)
InChIKeySFDKCZWJZXEJEC-UHFFFAOYSA-N
XLogP-0.15
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-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-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
3-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-1-sulfonamide
CID 106059384
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide (CID 106081643) is 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide is NCC1CCCN(S(=O)(=O)NCCCc2ncc[nH]2)C1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is SFDKCZWJZXEJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c13-9-11-3-2-8-17(10-11)20(18,19)16-5-1-4-12-14-6-7-15-12/h6-7,11,16H,1-5,8-10,13H2,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide?
3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106081643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).