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

C12H23N5O2S — CID 106083491

IUPAC2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCCCC1CN)c1ncc[nH]1
InChIInChI=1S/C12H23N5O2S/c1-2-11(12-14-6-7-15-12)16-20(18,19)17-8-4-3-5-10(17)9-13/h6-7,10-11,16H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyQHIBEKFNBZPXFM-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.51
Rot. Bonds6

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

2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide (PubChem CID 106083491) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
PubChem CID106083491
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCCCC1CN)c1ncc[nH]1
InChIInChI=1S/C12H23N5O2S/c1-2-11(12-14-6-7-15-12)16-20(18,19)17-8-4-3-5-10(17)9-13/h6-7,10-11,16H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyQHIBEKFNBZPXFM-UHFFFAOYSA-N
XLogP0.51
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106083500
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218544
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
CID 106003416
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106076104
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide (CID 106083491) is 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide is CCC(NS(=O)(=O)N1CCCCC1CN)c1ncc[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is QHIBEKFNBZPXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-2-11(12-14-6-7-15-12)16-20(18,19)17-8-4-3-5-10(17)9-13/h6-7,10-11,16H,2-5,8-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106083491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).