2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide

C13H24N4O2S — CID 62066613

IUPAC2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCCNC2)nc1C
InChIInChI=1S/C13H24N4O2S/c1-3-7-17-10-13(16-11(17)2)20(18,19)15-9-12-5-4-6-14-8-12/h10,12,14-15H,3-9H2,1-2H3
InChIKeyKJEGSMQGDDJUOC-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.88
Rot. Bonds6

About 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide

2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide (PubChem CID 62066613) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide
PubChem CID62066613
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCCNC2)nc1C
InChIInChI=1S/C13H24N4O2S/c1-3-7-17-10-13(16-11(17)2)20(18,19)15-9-12-5-4-6-14-8-12/h10,12,14-15H,3-9H2,1-2H3
InChIKeyKJEGSMQGDDJUOC-UHFFFAOYSA-N
XLogP0.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(6-methylpiperidin-3-yl)methyl]-1-propylimidazole-4-sulfonamide
CID 63009236
N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106136076
2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide
CID 62066987
N-[(3-chlorocyclohexyl)methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 106136042
N-(2-amino-2-cyclopropylethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63765092
5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912089
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
(2R)-2-methyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
CID 82755485
N-(3-aminocyclobutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 55030774
2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide
CID 55030726
2-chloro-1-methyl-N-[2-[(3S)-piperidin-3-yl]ethyl]imidazole-4-sulfonamide
CID 124698341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide (CID 62066613) is 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2CCCNC2)nc1C.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide?
The InChIKey is KJEGSMQGDDJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-7-17-10-13(16-11(17)2)20(18,19)15-9-12-5-4-6-14-8-12/h10,12,14-15H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide?
2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62066613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).