N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine

C17H26N4O2S — CID 146127945

IUPACN-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2cnc3cccc(C)n23)CC1
InChIInChI=1S/C17H26N4O2S/c1-3-11-24(22,23)20-9-7-15(8-10-20)18-12-16-13-19-17-6-4-5-14(2)21(16)17/h4-6,13,15,18H,3,7-12H2,1-2H3
InChIKeyHNGYAOVDDPQYRV-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.94
Rot. Bonds6

About N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine

N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine (PubChem CID 146127945) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine
PubChem CID146127945
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCc2cnc3cccc(C)n23)CC1
InChIInChI=1S/C17H26N4O2S/c1-3-11-24(22,23)20-9-7-15(8-10-20)18-12-16-13-19-17-6-4-5-14(2)21(16)17/h4-6,13,15,18H,3,7-12H2,1-2H3
InChIKeyHNGYAOVDDPQYRV-UHFFFAOYSA-N
XLogP1.94
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43747948
3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43747980
1-propylsulfonyl-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 62748365
1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 62743069
1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43748013
N-(1H-imidazol-5-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 62761764
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[(5-iodofuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43791483
methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255978
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43748006
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine (CID 146127945) is N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NCc2cnc3cccc(C)n23)CC1.
What is the InChIKey of N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
The InChIKey is HNGYAOVDDPQYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-3-11-24(22,23)20-9-7-15(8-10-20)18-12-16-13-19-17-6-4-5-14(2)21(16)17/h4-6,13,15,18H,3,7-12H2,1-2H3.
What are the key properties of N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine?
N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine has a molecular weight of 350.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 146127945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).