N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine

C13H18N4O3S — CID 62968720

IUPACN-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine
SMILESCNc1nc2ccccn2c1S(=O)(=O)N1CCCOCC1
InChIInChI=1S/C13H18N4O3S/c1-14-12-13(17-7-3-2-5-11(17)15-12)21(18,19)16-6-4-9-20-10-8-16/h2-3,5,7,14H,4,6,8-10H2,1H3
InChIKeyYFCBWCSXVNLJNC-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.79
Rot. Bonds3

About N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine

N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 62968720) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID62968720
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine
SMILESCNc1nc2ccccn2c1S(=O)(=O)N1CCCOCC1
InChIInChI=1S/C13H18N4O3S/c1-14-12-13(17-7-3-2-5-11(17)15-12)21(18,19)16-6-4-9-20-10-8-16/h2-3,5,7,14H,4,6,8-10H2,1H3
InChIKeyYFCBWCSXVNLJNC-UHFFFAOYSA-N
XLogP0.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methylmorpholin-4-yl)sulfonylimidazo[1,2-a]pyridin-2-yl]hydrazine
CID 60813816
N-methyl-2-(methylamino)-N-(3-methylbutan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62147350
2-(methylamino)-N-propylimidazo[1,2-a]pyridine-3-sulfonamide
CID 62150171
2-(methylamino)-N-(3-methylcyclopentyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 114540148
1-(2-hydrazinylimidazo[1,2-a]pyridin-3-yl)sulfonylpyrrolidine-3,4-diol
CID 106670070
2-(methylamino)-N-(thiolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 103064599
3-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-2-amine
CID 62149839
N-(2-hydroxyethyl)-2-(methylamino)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide
CID 62152632
N-(1-cyclopropylpropan-2-yl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63996392
N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 64583151
N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 63861541
2-(methylamino)-N-(1,3,4-thiadiazol-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62162633

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine (CID 62968720) is N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine is CNc1nc2ccccn2c1S(=O)(=O)N1CCCOCC1.
What is the InChIKey of N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is YFCBWCSXVNLJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-14-12-13(17-7-3-2-5-11(17)15-12)21(18,19)16-6-4-9-20-10-8-16/h2-3,5,7,14H,4,6,8-10H2,1H3.
What are the key properties of N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine?
N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 310.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,4-oxazepan-4-ylsulfonyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 62968720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).