2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide

C14H26N4O2S — CID 63009236

IUPAC2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCC(C)NC2)nc1C
InChIInChI=1S/C14H26N4O2S/c1-4-7-18-10-14(17-12(18)3)21(19,20)16-9-13-6-5-11(2)15-8-13/h10-11,13,15-16H,4-9H2,1-3H3
InChIKeyZGQNVOCDLZLOHQ-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.27
Rot. Bonds6

About 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide

2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide (PubChem CID 63009236) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide
PubChem CID63009236
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCC(C)NC2)nc1C
InChIInChI=1S/C14H26N4O2S/c1-4-7-18-10-14(17-12(18)3)21(19,20)16-9-13-6-5-11(2)15-8-13/h10-11,13,15-16H,4-9H2,1-3H3
InChIKeyZGQNVOCDLZLOHQ-UHFFFAOYSA-N
XLogP1.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide (CID 63009236) is 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2CCC(C)NC2)nc1C.
What is the InChIKey of 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide?
The InChIKey is ZGQNVOCDLZLOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-7-18-10-14(17-12(18)3)21(19,20)16-9-13-6-5-11(2)15-8-13/h10-11,13,15-16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide?
2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 63009236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).