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

C11H21N5O2S — CID 106018033

IUPAC4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NCCn2ccnc2)CC1
InChIInChI=1S/C11H21N5O2S/c12-9-11-1-5-16(6-2-11)19(17,18)14-4-8-15-7-3-13-10-15/h3,7,10-11,14H,1-2,4-6,8-9,12H2
InChIKeyXBSRGZCNTYHOFZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.61
Rot. Bonds6

About 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide (PubChem CID 106018033) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
PubChem CID106018033
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NCCn2ccnc2)CC1
InChIInChI=1S/C11H21N5O2S/c12-9-11-1-5-16(6-2-11)19(17,18)14-4-8-15-7-3-13-10-15/h3,7,10-11,14H,1-2,4-6,8-9,12H2
InChIKeyXBSRGZCNTYHOFZ-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

4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
4-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63554068
3-[(2-Methyl-1H-imidazol-1-YL)methyl]piperidine
CID 18712969
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine dihydrochloride
CID 45595304
3-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63975807
5H,6H,7H,8H-imidazo(1,2-a)pyridin-7-ylmethanamine
CID 83678778
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine
CID 25794905
4-[2-(1H-imidazol-1-yl)ethyl]piperidine
CID 13281183
N,N-dimethyl-3-{2-[1-(1-pyrrolidinylsulfonyl)-3-piperidinyl]-1H-imidazol-1-yl}-1-propanamine
CID 72862722
3-[(1-Methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine
CID 71847499
4-[2-(2-Methylimidazol-1-yl)ethyl]piperidine;dihydrochloride
CID 75485569
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide
CID 84598459

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide (CID 106018033) is 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)NCCn2ccnc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide?
The InChIKey is XBSRGZCNTYHOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c12-9-11-1-5-16(6-2-11)19(17,18)14-4-8-15-7-3-13-10-15/h3,7,10-11,14H,1-2,4-6,8-9,12H2.
What are the key properties of 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide?
4-(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 4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106018033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).