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

C12H23N5O2S — CID 106018117

IUPACN-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCn2ccnc2)C1
InChIInChI=1S/C12H23N5O2S/c1-13-9-12-3-2-6-17(10-12)20(18,19)15-5-8-16-7-4-14-11-16/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3
InChIKeyAYXWBXFRMHQSHF-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.35
Rot. Bonds7

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

N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106018117) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106018117
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCCn2ccnc2)C1
InChIInChI=1S/C12H23N5O2S/c1-13-9-12-3-2-6-17(10-12)20(18,19)15-5-8-16-7-4-14-11-16/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3
InChIKeyAYXWBXFRMHQSHF-UHFFFAOYSA-N
XLogP-0.35
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056
3-(methylaminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 106017938
4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018033
3-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064148
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106093569
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091913
3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
CID 106094390
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106018117) is N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCCn2ccnc2)C1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is AYXWBXFRMHQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-13-9-12-3-2-6-17(10-12)20(18,19)15-5-8-16-7-4-14-11-16/h4,7,11-13,15H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106018117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).