N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide

C12H22N4O2S — CID 86784600

IUPACN-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC2CCCCN2)c1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-12(14-9-16)19(17,18)15-7-11-5-3-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3
InChIKeyWLUKXIRMIXQUMS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.88
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide

N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 86784600) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID86784600
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC2CCCCN2)c1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-12(14-9-16)19(17,18)15-7-11-5-3-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3
InChIKeyWLUKXIRMIXQUMS-UHFFFAOYSA-N
XLogP0.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide (CID 86784600) is N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NCC2CCCCN2)c1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is WLUKXIRMIXQUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(2)16-8-12(14-9-16)19(17,18)15-7-11-5-3-4-6-13-11/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 86784600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).